2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole

C39H28N6 — CID 142329012

IUPAC2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole
SMILESCn1c(-c2ccc3c4cc(-n5cccc5)ccc4n(-c4cc(-c5ccccn5)ccc4-n4cccc4)c3c2)nc2ccccc21
InChIInChI=1S/C39H28N6/c1-42-35-12-3-2-11-33(35)41-39(42)28-13-16-30-31-26-29(43-20-6-7-21-43)15-18-34(31)45(37(30)25-28)38-24-27(32-10-4-5-19-40-32)14-17-36(38)44-22-8-9-23-44/h2-26H,1H3
InChIKeyYNZTVZDAVCMBOT-UHFFFAOYSA-N
MW580.70 g/mol
LogP8.98
Rot. Bonds5

About 2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole

2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole (PubChem CID 142329012) has the molecular formula C39H28N6 and a molecular weight of 580.70 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole
PubChem CID142329012
Molecular FormulaC39H28N6
Molecular Weight580.70 g/mol
Exact Mass580.24
IUPAC Name2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole
SMILESCn1c(-c2ccc3c4cc(-n5cccc5)ccc4n(-c4cc(-c5ccccn5)ccc4-n4cccc4)c3c2)nc2ccccc21
InChIInChI=1S/C39H28N6/c1-42-35-12-3-2-11-33(35)41-39(42)28-13-16-30-31-26-29(43-20-6-7-21-43)15-18-34(31)45(37(30)25-28)38-24-27(32-10-4-5-19-40-32)14-17-36(38)44-22-8-9-23-44/h2-26H,1H3
InChIKeyYNZTVZDAVCMBOT-UHFFFAOYSA-N
XLogP8.98
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.70
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_G(4)', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-7-pyrrol-1-ylcarbazole
CID 142329038
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-[9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142328957
2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
CID 142329290
2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole
CID 153285674
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-5-thiophen-3-ylphenyl)carbazole
CID 142328090
2-(1-methylbenzimidazol-2-yl)-9-[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 142328728
2-(1-methyl-5-pyridin-3-ylbenzimidazol-2-yl)-6-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142329407
2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole
CID 142328204
2-[9-[2-pyrrol-1-yl-5-(5-pyrrol-1-yl-2-pyridinyl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328301

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole (CID 142329012) is 2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole is Cn1c(-c2ccc3c4cc(-n5cccc5)ccc4n(-c4cc(-c5ccccn5)ccc4-n4cccc4)c3c2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole?
The InChIKey is YNZTVZDAVCMBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N6/c1-42-35-12-3-2-11-33(35)41-39(42)28-13-16-30-31-26-29(43-20-6-7-21-43)15-18-34(31)45(37(30)25-28)38-24-27(32-10-4-5-19-40-32)14-17-36(38)44-22-8-9-23-44/h2-26H,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole?
2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole has a molecular weight of 580.70 g/mol, XLogP of 8.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole is sourced from PubChem (CID 142329012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).