2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole

C35H24N4S — CID 142328090

IUPAC2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole
SMILESCn1c(-c2ccc3c4ccccc4n(-c4cc(-c5ccsc5)cc(-c5ccccn5)c4)c3c2)nc2ccccc21
InChIInChI=1S/C35H24N4S/c1-38-33-12-5-3-10-31(33)37-35(38)23-13-14-29-28-8-2-4-11-32(28)39(34(29)21-23)27-19-25(24-15-17-40-22-24)18-26(20-27)30-9-6-7-16-36-30/h2-22H,1H3
InChIKeyGXKLXBJRYZDCCW-UHFFFAOYSA-N
MW532.67 g/mol
LogP9.13
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole

2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole (PubChem CID 142328090) has the molecular formula C35H24N4S and a molecular weight of 532.67 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole
PubChem CID142328090
Molecular FormulaC35H24N4S
Molecular Weight532.67 g/mol
Exact Mass532.17
IUPAC Name2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole
SMILESCn1c(-c2ccc3c4ccccc4n(-c4cc(-c5ccsc5)cc(-c5ccccn5)c4)c3c2)nc2ccccc21
InChIInChI=1S/C35H24N4S/c1-38-33-12-5-3-10-31(33)37-35(38)23-13-14-29-28-8-2-4-11-32(28)39(34(29)21-23)27-19-25(24-15-17-40-22-24)18-26(20-27)30-9-6-7-16-36-30/h2-22H,1H3
InChIKeyGXKLXBJRYZDCCW-UHFFFAOYSA-N
XLogP9.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.67
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole
CID 153285674
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
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-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-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
CID 142329290
2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole
CID 142329012
2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142329407
2-[1-methyl-7-(1-methylimidazol-2-yl)benzimidazol-2-yl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328673
2-(1-methyl-7-pyridin-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285156
9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 58500911

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole (CID 142328090) is 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole is Cn1c(-c2ccc3c4ccccc4n(-c4cc(-c5ccsc5)cc(-c5ccccn5)c4)c3c2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole?
The InChIKey is GXKLXBJRYZDCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N4S/c1-38-33-12-5-3-10-31(33)37-35(38)23-13-14-29-28-8-2-4-11-32(28)39(34(29)21-23)27-19-25(24-15-17-40-22-24)18-26(20-27)30-9-6-7-16-36-30/h2-22H,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole?
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole has a molecular weight of 532.67 g/mol, XLogP of 9.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole is sourced from PubChem (CID 142328090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).