9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

C57H39N5 — CID 56643569

IUPAC9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESCc1ccc(-n2c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C57H39N5/c1-38-20-32-47(33-21-38)60-52-34-30-43(39-22-26-41(27-23-39)56-58-50-16-8-10-18-54(50)61(56)45-12-4-2-5-13-45)36-48(52)49-37-44(31-35-53(49)60)40-24-28-42(29-25-40)57-59-51-17-9-11-19-55(51)62(57)46-14-6-3-7-15-46/h2-37H,1H3
InChIKeyOTJPYQKZJFEFRC-UHFFFAOYSA-N
MW793.97 g/mol
LogP14.44
Rot. Bonds7

About 9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (PubChem CID 56643569) has the molecular formula C57H39N5 and a molecular weight of 793.97 g/mol. Its IUPAC name is 9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
PubChem CID56643569
Molecular FormulaC57H39N5
Molecular Weight793.97 g/mol
Exact Mass793.32
IUPAC Name9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESCc1ccc(-n2c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc32)cc1
InChIInChI=1S/C57H39N5/c1-38-20-32-47(33-21-38)60-52-34-30-43(39-22-26-41(27-23-39)56-58-50-16-8-10-18-54(50)61(56)45-12-4-2-5-13-45)36-48(52)49-37-44(31-35-53(49)60)40-24-28-42(29-25-40)57-59-51-17-9-11-19-55(51)62(57)46-14-6-3-7-15-46/h2-37H,1H3
InChIKeyOTJPYQKZJFEFRC-UHFFFAOYSA-N
XLogP14.44
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The IUPAC name of 9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (CID 56643569) is 9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The canonical SMILES for 9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is Cc1ccc(-n2c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc32)cc1.
What is the InChIKey of 9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The InChIKey is OTJPYQKZJFEFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N5/c1-38-20-32-47(33-21-38)60-52-34-30-43(39-22-26-41(27-23-39)56-58-50-16-8-10-18-54(50)61(56)45-12-4-2-5-13-45)36-48(52)49-37-44(31-35-53(49)60)40-24-28-42(29-25-40)57-59-51-17-9-11-19-55(51)62(57)46-14-6-3-7-15-46/h2-37H,1H3.
What are the key properties of 9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole has a molecular weight of 793.97 g/mol, XLogP of 14.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 56643569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).