Registration Dossier

General information

Inventory

EC number:
223-912-2
EC name:
1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bisanthraquinone
CAS number:
4118-16-5

No inventory information available

Reference substance information

IUPAC name:
1-({4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-6-phenyl-1,3,5-triazin-2-yl}amino)-9,10-dihydroanthracene-9,10-dione
Synonyms
Names:
9,10-Anthracenedione, 1,1'-[(6-phenyl-1,3,5-triazine- 2,4-diyl)diimino]bis-
9,10-Anthracenedione, 1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bis-
Identifier:
CAS number
4118-16-5
Identifier:
IUPAC name
1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bisanthraquinone
Identifier:
IUPAC name
1-({4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-6-phenyl-1,3,5-triazin-2-yl}amino)-9,10-dihydroanthracene-9,10-dione
Identifier:
other: SMILES notation
O=C1c2ccccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(n4)c8ccccc8)cccc1
1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]di(9,10-anthraquinone)

CAS information

CAS number:
4118-16-5

Molecular and structural information

Molecular formula:
C37H21N5O4
Molecular weight:
599.594
SMILES notation:
O=C1c2ccccc2C(=O)c3c(Nc4nc(Nc5cccc6C(=O)c7ccccc7C(=O)c56)nc(n4)c8ccccc8)cccc13
InChl:
InChI=1/C37H21N5O4/c43-31-21-12-4-6-14-23(21)33(45)29-25(31)16-8-18-27(29)38-36-40-35(20-10-2-1-3-11-20)41-37(42-36)39-28-19-9-17-26-30(28)34(46)24-15-7-5-13-22(24)32(26)44/h1-19H,(H2,38,39,40,41,42)
Structural formula:
Chemical structure