2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole

C47H30N6 — CID 176642525

IUPAC2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
SMILESc1ccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6cc(-c7ccncc7)ccc6n(-c6ccccn6)c5c4)cccc32)cc1
InChIInChI=1S/C47H30N6/c1-2-10-33(11-3-1)52-42-17-9-13-34(46(42)51-47(52)38-15-8-14-37-35-12-4-5-16-40(35)50-45(37)38)32-19-21-36-39-28-31(30-23-26-48-27-24-30)20-22-41(39)53(43(36)29-32)44-18-6-7-25-49-44/h1-29,50H
InChIKeyJEHPBAXVLSNFSW-UHFFFAOYSA-N
MW678.80 g/mol
LogP11.55
Rot. Bonds5

About 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole

2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole (PubChem CID 176642525) has the molecular formula C47H30N6 and a molecular weight of 678.80 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole.

Molecular Properties

Compound Name2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
PubChem CID176642525
Molecular FormulaC47H30N6
Molecular Weight678.80 g/mol
Exact Mass678.25
IUPAC Name2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
SMILESc1ccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6cc(-c7ccncc7)ccc6n(-c6ccccn6)c5c4)cccc32)cc1
InChIInChI=1S/C47H30N6/c1-2-10-33(11-3-1)52-42-17-9-13-34(46(42)51-47(52)38-15-8-14-37-35-12-4-5-16-40(35)50-45(37)38)32-19-21-36-39-28-31(30-23-26-48-27-24-30)20-22-41(39)53(43(36)29-32)44-18-6-7-25-49-44/h1-29,50H
InChIKeyJEHPBAXVLSNFSW-UHFFFAOYSA-N
XLogP11.55
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.80
LogP ≤ 511.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176643522
2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642444
2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642472
2-[2-(9H-carbazol-1-yl)-1-[3-(2-phenylpropan-2-yl)phenyl]benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642564
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
CID 176643299
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole
CID 176643262
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
6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 176643493
4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole
CID 176642464
3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine
CID 176643376
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 176642732
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole?
The IUPAC name of 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole (CID 176642525) is 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole.
What is the SMILES notation for 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole?
The canonical SMILES for 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole is c1ccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6cc(-c7ccncc7)ccc6n(-c6ccccn6)c5c4)cccc32)cc1.
What is the InChIKey of 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole?
The InChIKey is JEHPBAXVLSNFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N6/c1-2-10-33(11-3-1)52-42-17-9-13-34(46(42)51-47(52)38-15-8-14-37-35-12-4-5-16-40(35)50-45(37)38)32-19-21-36-39-28-31(30-23-26-48-27-24-30)20-22-41(39)53(43(36)29-32)44-18-6-7-25-49-44/h1-29,50H.
What are the key properties of 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole?
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole has a molecular weight of 678.80 g/mol, XLogP of 11.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole is sourced from PubChem (CID 176642525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).