2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole

C49H35N — CID 165167768

IUPAC2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccc(C(c6ccccc6)c6ccccc6)cc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C49H35N/c1-5-13-35(14-6-1)36-21-23-37(24-22-36)38-25-27-39(28-26-38)42-30-32-47-46(33-42)45-31-29-43(34-48(45)50(47)44-19-11-4-12-20-44)49(40-15-7-2-8-16-40)41-17-9-3-10-18-41/h1-34,49H
InChIKeyXFJHAWWSPWBUBK-UHFFFAOYSA-N
MW637.83 g/mol
LogP12.96
Rot. Bonds7

About 2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole

2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole (PubChem CID 165167768) has the molecular formula C49H35N and a molecular weight of 637.83 g/mol. Its IUPAC name is 2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole
PubChem CID165167768
Molecular FormulaC49H35N
Molecular Weight637.83 g/mol
Exact Mass637.28
IUPAC Name2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccc(C(c6ccccc6)c6ccccc6)cc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C49H35N/c1-5-13-35(14-6-1)36-21-23-37(24-22-36)38-25-27-39(28-26-38)42-30-32-47-46(33-42)45-31-29-43(34-48(45)50(47)44-19-11-4-12-20-44)49(40-15-7-2-8-16-40)41-17-9-3-10-18-41/h1-34,49H
InChIKeyXFJHAWWSPWBUBK-UHFFFAOYSA-N
XLogP12.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.83
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]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

3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
CID 139542507
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 134168075
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
6-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-2,9-diphenylcarbazole;9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 162084948
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2-(3,6-diphenylcarbazol-9-yl)-9-[4-[2-(3,6-diphenylcarbazol-9-yl)-6-phenylcarbazol-9-yl]phenyl]-6-phenylcarbazole
CID 176786489
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole?
The IUPAC name of 2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole (CID 165167768) is 2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole is c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccc(C(c6ccccc6)c6ccccc6)cc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole?
The InChIKey is XFJHAWWSPWBUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N/c1-5-13-35(14-6-1)36-21-23-37(24-22-36)38-25-27-39(28-26-38)42-30-32-47-46(33-42)45-31-29-43(34-48(45)50(47)44-19-11-4-12-20-44)49(40-15-7-2-8-16-40)41-17-9-3-10-18-41/h1-34,49H.
What are the key properties of 2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole?
2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole has a molecular weight of 637.83 g/mol, XLogP of 12.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-9-phenyl-6-[4-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 165167768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).