6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole

C24H18BrN — CID 123494743

IUPAC6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole
SMILESBrc1ccc2c(c1)C1C=CC=CC1N2c1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H18BrN/c25-19-13-14-24-22(16-19)21-11-4-5-12-23(21)26(24)20-10-6-9-18(15-20)17-7-2-1-3-8-17/h1-16,21,23H
InChIKeyQJKJFSJZOUBNDE-UHFFFAOYSA-N
MW400.32 g/mol
LogP6.85
Rot. Bonds2

About 6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole

6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole (PubChem CID 123494743) has the molecular formula C24H18BrN and a molecular weight of 400.32 g/mol. Its IUPAC name is 6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole
PubChem CID123494743
Molecular FormulaC24H18BrN
Molecular Weight400.32 g/mol
Exact Mass399.06
IUPAC Name6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole
SMILESBrc1ccc2c(c1)C1C=CC=CC1N2c1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H18BrN/c25-19-13-14-24-22(16-19)21-11-4-5-12-23(21)26(24)20-10-6-9-18(15-20)17-7-2-1-3-8-17/h1-16,21,23H
InChIKeyQJKJFSJZOUBNDE-UHFFFAOYSA-N
XLogP6.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.32
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole 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

3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
15,21-diphenyl-11-(3-phenylphenyl)-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),6,8,13,17,19(24),20,22,26-undecaene
CID 144969913
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
7,10-diphenyl-3-[4-[3-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129075632
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole?
The IUPAC name of 6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole (CID 123494743) is 6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole.
What is the SMILES notation for 6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole?
The canonical SMILES for 6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole is Brc1ccc2c(c1)C1C=CC=CC1N2c1cccc(-c2ccccc2)c1.
What is the InChIKey of 6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole?
The InChIKey is QJKJFSJZOUBNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN/c25-19-13-14-24-22(16-19)21-11-4-5-12-23(21)26(24)20-10-6-9-18(15-20)17-7-2-1-3-8-17/h1-16,21,23H.
What are the key properties of 6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole?
6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole has a molecular weight of 400.32 g/mol, XLogP of 6.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole is sourced from PubChem (CID 123494743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).