2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole

C41H28N6 — CID 142329407

IUPAC2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole
SMILESCn1c(-c2ccc3c4cc(-c5cccnc5)ccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C41H28N6/c1-46-39-17-14-28(32-9-6-19-43-26-32)23-37(39)45-41(46)30-12-15-34-35-22-27(31-8-5-18-42-25-31)13-16-38(35)47(40(34)24-30)33-10-4-7-29(21-33)36-11-2-3-20-44-36/h2-26H,1H3
InChIKeyODLKDANDDLSKIY-UHFFFAOYSA-N
MW604.72 g/mol
LogP9.52
Rot. Bonds5

About 2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole

2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole (PubChem CID 142329407) has the molecular formula C41H28N6 and a molecular weight of 604.72 g/mol. Its IUPAC name is 2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole
PubChem CID142329407
Molecular FormulaC41H28N6
Molecular Weight604.72 g/mol
Exact Mass604.24
IUPAC Name2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole
SMILESCn1c(-c2ccc3c4cc(-c5cccnc5)ccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C41H28N6/c1-46-39-17-14-28(32-9-6-19-43-26-32)23-37(39)45-41(46)30-12-15-34-35-22-27(31-8-5-18-42-25-31)13-16-38(35)47(40(34)24-30)33-10-4-7-29(21-33)36-11-2-3-20-44-36/h2-26H,1H3
InChIKeyODLKDANDDLSKIY-UHFFFAOYSA-N
XLogP9.52
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.72
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285580
2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328473
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
2-(1-methyl-7-pyridin-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285156
2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
CID 142329290
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-7-pyrrol-1-ylcarbazole
CID 142329038
2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 142328728
2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole
CID 153285674
9-[4-(1-methylbenzimidazol-2-yl)phenyl]-N-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]carbazol-4-yl]-N-phenylcarbazol-4-amine;N-(4-methylphenyl)-9-(3-pyridin-2-ylphenyl)-N-[9-(3-pyridin-2-ylphenyl)carbazol-4-yl]carbazol-4-amine;N-(4-methylphenyl)-9-(4-pyridin-4-ylphenyl)-N-[9-(4-pyridin-4-ylphenyl)carbazol-4-yl]carbazol-4-amine;N-phenyl-9-(3-pyridin-2-ylphenyl)-N-[9-(3-pyridin-2-ylphenyl)carbazol-4-yl]carbazol-4-amine;N-phenyl-9-(3-pyridin-3-ylphenyl)-N-[9-(3-pyridin-3-ylphenyl)carbazol-4-yl]carbazol-4-amine;N-phenyl-9-(3-pyridin-4-ylphenyl)-N-[9-(3-pyridin-4-ylphenyl)carbazol-4-yl]carbazol-4-amine
CID 157299489
2-[1-methyl-7-(1-methylimidazol-2-yl)benzimidazol-2-yl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328673
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142328663

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole (CID 142329407) is 2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole is Cn1c(-c2ccc3c4cc(-c5cccnc5)ccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2cc(-c3cccnc3)ccc21.
What is the InChIKey of 2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole?
The InChIKey is ODLKDANDDLSKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N6/c1-46-39-17-14-28(32-9-6-19-43-26-32)23-37(39)45-41(46)30-12-15-34-35-22-27(31-8-5-18-42-25-31)13-16-38(35)47(40(34)24-30)33-10-4-7-29(21-33)36-11-2-3-20-44-36/h2-26H,1H3.
What are the key properties of 2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole?
2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole has a molecular weight of 604.72 g/mol, XLogP of 9.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 142329407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).