1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole

C36H24N2 — CID 170517522

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(-n3c4ccccc4c4cccc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c43)cc2)c([2H])c1[2H]
InChIInChI=1S/C36H24N2/c1-2-11-25(12-3-1)26-21-23-27(24-22-26)37-32-17-7-6-15-30(32)31-16-10-20-35(36(31)37)38-33-18-8-4-13-28(33)29-14-5-9-19-34(29)38/h1-24H/i1D,2D,3D,4D,5D,8D,9D,11D,12D,13D,14D,18D,19D
InChIKeyBNLPWHPNAPWCMY-NOLXBHOCSA-N
MW497.68 g/mol
LogP9.55
Rot. Bonds3

About 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole (PubChem CID 170517522) has the molecular formula C36H24N2 and a molecular weight of 497.68 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole
PubChem CID170517522
Molecular FormulaC36H24N2
Molecular Weight497.68 g/mol
Exact Mass497.28
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(-n3c4ccccc4c4cccc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c43)cc2)c([2H])c1[2H]
InChIInChI=1S/C36H24N2/c1-2-11-25(12-3-1)26-21-23-27(24-22-26)37-32-17-7-6-15-30(32)31-16-10-20-35(36(31)37)38-33-18-8-4-13-28(33)29-14-5-9-19-34(29)38/h1-24H/i1D,2D,3D,4D,5D,8D,9D,11D,12D,13D,14D,18D,19D
InChIKeyBNLPWHPNAPWCMY-NOLXBHOCSA-N
XLogP9.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.68
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
CID 170517556
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-1-yl]carbazole
CID 170517476
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517489
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170517466
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
CID 170660138
1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]carbazole
CID 170660053
1-(3-carbazol-9-ylcarbazol-9-yl)-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170518114
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazol-3-yl]carbazole
CID 170659684
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517729
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725
1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517488
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole
CID 170517578

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole (CID 170517522) is 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2ccc(-n3c4ccccc4c4cccc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)c43)cc2)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole?
The InChIKey is BNLPWHPNAPWCMY-NOLXBHOCSA-N. The full InChI is InChI=1S/C36H24N2/c1-2-11-25(12-3-1)26-21-23-27(24-22-26)37-32-17-7-6-15-30(32)31-16-10-20-35(36(31)37)38-33-18-8-4-13-28(33)29-14-5-9-19-34(29)38/h1-24H/i1D,2D,3D,4D,5D,8D,9D,11D,12D,13D,14D,18D,19D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole has a molecular weight of 497.68 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole is sourced from PubChem (CID 170517522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).