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

C24H16BrN — CID 177269978

IUPAC2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(Br)c([2H])c1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H16BrN/c25-19-12-15-22-21-8-4-5-9-23(21)26(24(22)16-19)20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-16H/i4D,5D,8D,9D,12D,15D,16D
InChIKeyWNJONVVVRMCDDZ-VPUMJXHASA-N
MW405.35 g/mol
LogP7.21
Rot. Bonds2

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

2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole (PubChem CID 177269978) has the molecular formula C24H16BrN and a molecular weight of 405.35 g/mol. Its IUPAC name is 2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
PubChem CID177269978
Molecular FormulaC24H16BrN
Molecular Weight405.35 g/mol
Exact Mass404.09
IUPAC Name2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(Br)c([2H])c1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H16BrN/c25-19-12-15-22-21-8-4-5-9-23(21)26(24(22)16-19)20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-16H/i4D,5D,8D,9D,12D,15D,16D
InChIKeyWNJONVVVRMCDDZ-VPUMJXHASA-N
XLogP7.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.35
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)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

2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole
CID 59500390
2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole
CID 172519786
1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164788730
1,2,3,4,5,6,7,8-octadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole
CID 170517573
4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
CID 177270012
1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole
CID 164843391
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-[1,2,4,5,6,7,8-heptadeuterio-9-[1,3,4,5,6,7,8-heptadeuterio-9-(3,5-diphenylphenyl)carbazol-2-yl]carbazol-3-yl]carbazole
CID 170518263
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170517466
1,2,3,4,5,6,8-heptadeuterio-9-(4-deuteriophenyl)-7-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole
CID 167377854
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(4-deuteriophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 172511986
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 177280510

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole?
The IUPAC name of 2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole (CID 177269978) is 2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(Br)c([2H])c1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole?
The InChIKey is WNJONVVVRMCDDZ-VPUMJXHASA-N. The full InChI is InChI=1S/C24H16BrN/c25-19-12-15-22-21-8-4-5-9-23(21)26(24(22)16-19)20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-16H/i4D,5D,8D,9D,12D,15D,16D.
What are the key properties of 2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole?
2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole has a molecular weight of 405.35 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 177269978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).