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Reference substances

Reference substances

Currently viewing:
IUPAC name:
copper polyphthalocyanine

Inventory

EC number:
205-685-1
EC name:
29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32 copper
CAS number:
147-14-8
CAS number:
147-14-8
Synonyms
Names:
C.I. Pigment Blue 15 C.I.Pigment Blue 15 C.I. Pigment Blue 15:1 C.I. Pigment Blue 15:3 Copper, [29H,31H-phthalocyaninato( 2-)-N29,N30,N31,N32]-, (SP-4-1)- Copper, [29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)- [29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper [29H,31H-phthalocyaninato(2-)-κ4N29,N30,N31,N32]copper
C.I.Pigment Blue 15 C.I. Pigment Blue 15:1 C.I. Pigment Blue 15:3
Copper, [29H,31H-phthalocyaninato( 2-)-N29,N30,N31,N32]-, (SP-4-1)-
Copper, [29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-
Identifier:
IUPAC name
29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32 copper
Identifier:
IUPAC name
29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32 copper
Identifier:
IUPAC name
29H,31pththalocyaninato(2)N29, N30,N31,N32 copper
Identifier:
IUPAC name
Pigment blue 15
Identifier:
IUPAC name
[29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper
Identifier:
IUPAC name
[29H,31H-phthalocyaninato(2-)-κ4N29,N30,N31,N32]copper
Identifier:
Colour Index
C.I. Pigment Blue 15
Identifier:
other: InChl
InChI=1/C32H16N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2/rC32H16CuN8/c1-2-10-18-17(9-1)25-34-26(18)37-30-23-15-7-8-16-24(23)32-39-28-20-12-4-3-11-19(20)27(35-28)38-31-22-14-6-5-13-21(22)29(36-25)40(31)33-41(30)32/h1-16H
Identifier:
other: InChl
1S/C32H16N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2
Identifier:
other: SMILES notation
C1(/C2=C/3C=CC=C2)=N\C4=N/C(C5=C4C=CC=C5) =N\C6=C7C(C=CC=C7)=C8N6[Cu]N1C3=N/C(C9=C/%10C=CC=C9)=NC%10=N/8
Identifier:
other: SMILES notation
C1=CC=C2C(=C1)C3=NC4=NC(=NC5=NC(=NC6=NC(=NC2=N3)C7=CC=CC=C76)C8=CC=CC=C85)C9=CC=CC=C94.[Cu]
Identifier:
other: InChl
InChI=1S/C32H16N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H
Identifier:
other: InChl
InChI=1S/C32H16N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2
Identifier:
other: SMILES notation
N=1C2=N3C(=Nc4n5c(N=C6c7ccccc7C=7N=C8c9ccccc9C=1N8[Cu]35N6=7)c1ccccc41)c1ccccc21
Identifier:
other: SMILES notation
N=1C=2C=3C=CC=CC3C4=NC5=C6C=CC=CC6=C7N=C8C=9C=CC=CC9C=%10N=C%11C=%12C=CC=CC%12C1[N-]%11[Cu+2]([N]24)([N]%108)[N-]57
Identifier:
other: SMILES notation
[Cu]1N2C3=NC4=NC(=Nc5n1c(N=C6N=C(N=C2c7ccccc37)c8ccccc68)c9ccccc59)c%10ccccc4%10
Identifier:
other: SMILES notation
c1ccc2=C3N=C4c5ccccc5C6=N4[Cu+2]78[N-]3C(=c2c1)N=C9N7=C(c1c9cccc1)N=C1[N-]8C(=N6)c2c1cccc2
[29H,31H-phthalocyaninato(2-)-kappa~2~N~29~,N~31~]copper

Molecular and structural information

Molecular formula:
C32H16CuN8
Molecular weight:
576.07
SMILES notation:
[Cu]1N2\C\3=N/C4=N\C(=N/c5c6ccccc6c(\N=C\7/N=C(\N=C/2\c8ccccc38)c9ccccc79)n15)\c%10ccccc4%10
InChl:
InChI=1/C32H16N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2/rC32H16CuN8/c1-2-10-18-17(9-1)25-34-26(18)37-30-23-15-7-8-16-24(23)32-39-28-20-12-4-3-11-19(20)27(35-28)38-31-22-14-6-5-13-21(22)29(36-25)40(31)33-41(30)32/h1-16H
Structural formula:
Chemical structure

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