2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole

C52H39N5 — CID 176642732

IUPAC2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
SMILESCc1ccnc(-n2c3cc(-c4cccc5c4nc(-c4cccc6c4[nH]c4ccccc46)n5-c4ccccc4)ccc3c3ccc(C(C)(C)c4ccccc4)cc32)c1
InChIInChI=1S/C52H39N5/c1-33-28-29-53-48(30-33)57-46-31-34(24-26-40(46)41-27-25-36(32-47(41)57)52(2,3)35-14-6-4-7-15-35)38-19-13-23-45-50(38)55-51(56(45)37-16-8-5-9-17-37)43-21-12-20-42-39-18-10-11-22-44(39)54-49(42)43/h4-32,54H,1-3H3
InChIKeyRLFBZOLUODFBKQ-UHFFFAOYSA-N
MW733.92 g/mol
LogP13.12
Rot. Bonds6

About 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole

2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole (PubChem CID 176642732) has the molecular formula C52H39N5 and a molecular weight of 733.92 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole.

Molecular Properties

Compound Name2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
PubChem CID176642732
Molecular FormulaC52H39N5
Molecular Weight733.92 g/mol
Exact Mass733.32
IUPAC Name2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
SMILESCc1ccnc(-n2c3cc(-c4cccc5c4nc(-c4cccc6c4[nH]c4ccccc46)n5-c4ccccc4)ccc3c3ccc(C(C)(C)c4ccccc4)cc32)c1
InChIInChI=1S/C52H39N5/c1-33-28-29-53-48(30-33)57-46-31-34(24-26-40(46)41-27-25-36(32-47(41)57)52(2,3)35-14-6-4-7-15-35)38-19-13-23-45-50(38)55-51(56(45)37-16-8-5-9-17-37)43-21-12-20-42-39-18-10-11-22-44(39)54-49(42)43/h4-32,54H,1-3H3
InChIKeyRLFBZOLUODFBKQ-UHFFFAOYSA-N
XLogP13.12
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.92
LogP ≤ 513.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)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-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642564
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[1-(4-methylphenyl)-2-(3-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]carbazole
CID 176643042
2-[2-(9H-carbazol-1-yl)-6-methyl-1-(3-methylphenyl)benzimidazol-4-yl]-6-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 176642714
6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 176643493
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
CID 176643299
2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176643522
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-2-propan-2-yl-4-(trifluoromethyl)carbazole
CID 176643504
9-(4-tert-butyl-2-pyridinyl)-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-6-[2,6-di(propan-2-yl)phenyl]carbazole
CID 176642782
2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642444
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole
CID 176643262
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
CID 176642525
9-[1-(3-tert-butylphenyl)-2-(9H-carbazol-1-yl)benzimidazol-4-yl]-7-[4-(trifluoromethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]carbazole
CID 176642476

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole?
The IUPAC name of 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole (CID 176642732) is 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole.
What is the SMILES notation for 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole?
The canonical SMILES for 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole is Cc1ccnc(-n2c3cc(-c4cccc5c4nc(-c4cccc6c4[nH]c4ccccc46)n5-c4ccccc4)ccc3c3ccc(C(C)(C)c4ccccc4)cc32)c1.
What is the InChIKey of 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole?
The InChIKey is RLFBZOLUODFBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N5/c1-33-28-29-53-48(30-33)57-46-31-34(24-26-40(46)41-27-25-36(32-47(41)57)52(2,3)35-14-6-4-7-15-35)38-19-13-23-45-50(38)55-51(56(45)37-16-8-5-9-17-37)43-21-12-20-42-39-18-10-11-22-44(39)54-49(42)43/h4-32,54H,1-3H3.
What are the key properties of 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole?
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole has a molecular weight of 733.92 g/mol, XLogP of 13.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 176642732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).