2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole

C42H28BrN — CID 118265947

IUPAC2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole
SMILESBrc1ccccc1-c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5-c5ccccc5)cc4)c3c2)cc1
InChIInChI=1S/C42H28BrN/c43-40-16-8-6-14-37(40)32-20-18-29(19-21-32)33-24-27-39-38-15-7-9-17-41(38)44(42(39)28-33)34-25-22-31(23-26-34)36-13-5-4-12-35(36)30-10-2-1-3-11-30/h1-28H
InChIKeyGUCHKGUNRNIVOB-UHFFFAOYSA-N
MW626.60 g/mol
LogP12.21
Rot. Bonds5

About 2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole

2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole (PubChem CID 118265947) has the molecular formula C42H28BrN and a molecular weight of 626.60 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole
PubChem CID118265947
Molecular FormulaC42H28BrN
Molecular Weight626.60 g/mol
Exact Mass625.14
IUPAC Name2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole
SMILESBrc1ccccc1-c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5-c5ccccc5)cc4)c3c2)cc1
InChIInChI=1S/C42H28BrN/c43-40-16-8-6-14-37(40)32-20-18-29(19-21-32)33-24-27-39-38-15-7-9-17-41(38)44(42(39)28-33)34-25-22-31(23-26-34)36-13-5-4-12-35(36)30-10-2-1-3-11-30/h1-28H
InChIKeyGUCHKGUNRNIVOB-UHFFFAOYSA-N
XLogP12.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.60
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-bromophenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 90216170
2-[3-(2-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 90216183
2-[2-(4-bromophenyl)-5-phenylphenyl]-9-phenylcarbazole
CID 118337067
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
2-[2-(2-bromophenyl)phenyl]-9-(2,5-diphenylphenyl)carbazole;2-[2-(2-bromophenyl)phenyl]-9-(2,6-diphenylphenyl)carbazole;2-[2-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole;2-[2-(2-bromophenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole;methane
CID 158973335
2-(2-bromophenyl)-9-(2,4-diphenylphenyl)carbazole;2-(2-bromophenyl)-9-(2,5-diphenylphenyl)carbazole;2-(2-bromophenyl)-9-(2,6-diphenylphenyl)carbazole;2-(2-bromophenyl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 160975340
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
2-[2-(4-methylphenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 118337077
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142314929

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole?
The IUPAC name of 2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole (CID 118265947) is 2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole is Brc1ccccc1-c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccccc5-c5ccccc5)cc4)c3c2)cc1.
What is the InChIKey of 2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole?
The InChIKey is GUCHKGUNRNIVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28BrN/c43-40-16-8-6-14-37(40)32-20-18-29(19-21-32)33-24-27-39-38-15-7-9-17-41(38)44(42(39)28-33)34-25-22-31(23-26-34)36-13-5-4-12-35(36)30-10-2-1-3-11-30/h1-28H.
What are the key properties of 2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole?
2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole has a molecular weight of 626.60 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)phenyl]-9-[4-(2-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 118265947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).