Registration Dossier

General information

Inventory

EC number:
218-524-5
EC name:
6,18-dihydrodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexone
CAS number:
2172-33-0

No inventory information available

Reference substance information

IUPAC name:
5,27-diazaundecacyclo[23.19.0.0³,²³.0⁴,²⁰.0⁶,¹⁹.0⁷,¹⁶.0⁹,¹⁴.0²⁶,⁴².0²⁸,⁴¹.0²⁹,³⁸.0³¹,³⁶]tetratetraconta-1(25),3(23),4(20),6(19),7(16),9,11,13,17,21,26(42),28(41),29(38),31,33,35,39,43-octadecaene-2,8,15,24,30,37-hexone
Synonyms
Names:
Dinaphtho[2,3-i:2',3'-i'] benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H ,18H)-hexone
Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone
Identifier:
CAS number
2172-33-0
Identifier:
IUPAC name
5,27-diazaundecacyclo[23.19.0.0³,²³.0⁴,²⁰.0⁶,¹⁹.0⁷,¹⁶.0⁹,¹⁴.0²⁶,⁴².0²⁸,⁴¹.0²⁹,³⁸.0³¹,³⁶]tetratetraconta-1(25),3(23),4(20),6(19),7(16),9,11,13,17,21,26(42),28(41),29(38),31,33,35,39,43-octadecaene-2,8,15,24,30,37-hexone
Identifier:
IUPAC name
6,18-dihydrodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexone
Identifier:
IUPAC name
Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone
Identifier:
other: SMILES notation
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C5=C(N4)C6=C(C=C5)C(=O)C7=C(C6=O)C=CC8=C7NC9=C8C=CC1=C9C(=O)C2=CC=CC=C2C1=O
Identifier:
other: SMILES notation
O=C(C1=C2C=CC3=C1NC4=C3C=CC(C5=O)=C4C(C6=C5C(NC7=C(C8=O)C(C(C9=C8C=CC=C9)=O)=CC=C7%10)=C%10C=C6)=O)C%11=C(C2=O)C=CC=C%11
dinaphtho[2,3-i:2,3-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone

CAS information

CAS number:
2172-33-0

Molecular and structural information

Molecular formula:
C42H18N2O6
Molecular weight:
646.602
SMILES notation:
O=C1c2ccccc2C(=O)c3c1ccc4c5ccc6C(=O)c7c(ccc8c9ccc%10C(=O)c%11ccccc%11C(=O)c%10c9[nH]c78)C(=O)c6c5[nH]c34
InChl:
InChI=1/C42H18N2O6/c45-37-21-5-1-3-7-23(21)39(47)29-25(37)13-9-17-19-11-15-27-31(35(19)43-33(17)29)41(49)28-16-12-20-18-10-14-26-30(34(18)44-36(20)32(28)42(27)50)40(48)24-8-4-2-6-22(24)38(26)46/h1-16,43-44H
Structural formula:
Chemical structure