2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole

C43H29N5 — CID 176643522

IUPAC2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
SMILESCc1cccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)c1
InChIInChI=1S/C43H29N5/c1-27-11-8-12-29(25-27)47-38-20-10-15-30(42(38)46-43(47)35-17-9-16-34-31-13-2-4-18-36(31)45-41(34)35)28-22-23-33-32-14-3-5-19-37(32)48(39(33)26-28)40-21-6-7-24-44-40/h2-26,45H,1H3
InChIKeyLMIJSLXWKPHIJN-UHFFFAOYSA-N
MW615.74 g/mol
LogP10.79
Rot. Bonds4

About 2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole

2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole (PubChem CID 176643522) has the molecular formula C43H29N5 and a molecular weight of 615.74 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
PubChem CID176643522
Molecular FormulaC43H29N5
Molecular Weight615.74 g/mol
Exact Mass615.24
IUPAC Name2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
SMILESCc1cccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)c1
InChIInChI=1S/C43H29N5/c1-27-11-8-12-29(25-27)47-38-20-10-15-30(42(38)46-43(47)35-17-9-16-34-31-13-2-4-18-36(31)45-41(34)35)28-22-23-33-32-14-3-5-19-37(32)48(39(33)26-28)40-21-6-7-24-44-40/h2-26,45H,1H3
InChIKeyLMIJSLXWKPHIJN-UHFFFAOYSA-N
XLogP10.79
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 510.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-6-methyl-1-phenylbenzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176642444
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-pyridin-2-yl-6-pyridin-4-ylcarbazole
CID 176642525
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
2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-methyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 176642732
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
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
6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 176643493
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole (CID 176643522) is 2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole is Cc1cccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)c1.
What is the InChIKey of 2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole?
The InChIKey is LMIJSLXWKPHIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5/c1-27-11-8-12-29(25-27)47-38-20-10-15-30(42(38)46-43(47)35-17-9-16-34-31-13-2-4-18-36(31)45-41(34)35)28-22-23-33-32-14-3-5-19-37(32)48(39(33)26-28)40-21-6-7-24-44-40/h2-26,45H,1H3.
What are the key properties of 2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole?
2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole has a molecular weight of 615.74 g/mol, XLogP of 10.79, 4 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-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 176643522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).