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

C44H31N5 — CID 176642472

IUPAC2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
SMILESCc1ccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)cc1C
InChIInChI=1S/C44H31N5/c1-27-20-22-30(25-28(27)2)48-39-18-10-13-31(43(39)47-44(48)36-15-9-14-35-32-11-3-5-16-37(32)46-42(35)36)29-21-23-34-33-12-4-6-17-38(33)49(40(34)26-29)41-19-7-8-24-45-41/h3-26,46H,1-2H3
InChIKeyRVFAUUKQUVTCMR-UHFFFAOYSA-N
MW629.77 g/mol
LogP11.10
Rot. Bonds4

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

2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole (PubChem CID 176642472) has the molecular formula C44H31N5 and a molecular weight of 629.77 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
PubChem CID176642472
Molecular FormulaC44H31N5
Molecular Weight629.77 g/mol
Exact Mass629.26
IUPAC Name2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
SMILESCc1ccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)cc1C
InChIInChI=1S/C44H31N5/c1-27-20-22-30(25-28(27)2)48-39-18-10-13-31(43(39)47-44(48)36-15-9-14-35-32-11-3-5-16-37(32)46-42(35)36)29-21-23-34-33-12-4-6-17-38(33)49(40(34)26-29)41-19-7-8-24-45-41/h3-26,46H,1-2H3
InChIKeyRVFAUUKQUVTCMR-UHFFFAOYSA-N
XLogP11.10
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.77
LogP ≤ 511.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-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)-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-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
CID 176643299
4-[1-phenyl-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]-5H-[1]benzofuro[3,2-c]carbazole
CID 176642464
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
6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 176643493
3-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9,9-dimethyl-6-phenyl-10-pyridin-2-ylacridine
CID 176643376
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-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole (CID 176642472) is 2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole is Cc1ccc(-n2c(-c3cccc4c3[nH]c3ccccc34)nc3c(-c4ccc5c6ccccc6n(-c6ccccn6)c5c4)cccc32)cc1C.
What is the InChIKey of 2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole?
The InChIKey is RVFAUUKQUVTCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N5/c1-27-20-22-30(25-28(27)2)48-39-18-10-13-31(43(39)47-44(48)36-15-9-14-35-32-11-3-5-16-37(32)46-42(35)36)29-21-23-34-33-12-4-6-17-38(33)49(40(34)26-29)41-19-7-8-24-45-41/h3-26,46H,1-2H3.
What are the key properties of 2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole?
2-[2-(9H-carbazol-1-yl)-1-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole has a molecular weight of 629.77 g/mol, XLogP of 11.10, 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-(3,4-dimethylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 176642472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).