1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole

C36H24N2 — CID 170517556

IUPAC1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c(-n3c4ccccc4c4ccccc43)c1n2-c1ccc(-c2ccccc2)cc1
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/i6D,7D,10D,15D,16D,17D,20D
InChIKeyBNLPWHPNAPWCMY-WPJYJYASSA-N
MW491.64 g/mol
LogP9.55
Rot. Bonds3

About 1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole

1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole (PubChem CID 170517556) has the molecular formula C36H24N2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
PubChem CID170517556
Molecular FormulaC36H24N2
Molecular Weight491.64 g/mol
Exact Mass491.24
IUPAC Name1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c(-n3c4ccccc4c4ccccc43)c1n2-c1ccc(-c2ccccc2)cc1
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/i6D,7D,10D,15D,16D,17D,20D
InChIKeyBNLPWHPNAPWCMY-WPJYJYASSA-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 ≤ 500491.64
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazole
CID 170517522
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-[1,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-1-yl]carbazol-2-yl]carbazole
CID 170659981
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-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole
CID 170517578
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
1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-1-yl]carbazol-1-yl]carbazole
CID 170659912
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazole
CID 170659782
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-(2,6-diphenylphenyl)carbazol-1-yl]carbazol-3-yl]carbazole
CID 170518085
1,2,3,4-tetradeuterio-9-[4-[2,6-di(carbazol-9-yl)-3,4,5-trideuteriophenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-2-pyridinyl]carbazole
CID 171578311

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole?
The IUPAC name of 1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole (CID 170517556) is 1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c(-n3c4ccccc4c4ccccc43)c1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole?
The InChIKey is BNLPWHPNAPWCMY-WPJYJYASSA-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/i6D,7D,10D,15D,16D,17D,20D.
What are the key properties of 1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole?
1-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole has a molecular weight of 491.64 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-carbazol-9-yl-2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 170517556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).