2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole

C39H30N8 — CID 142328204

IUPAC2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole
SMILESCn1ccnc1-c1ccc(-c2ccc(-c3nccn3C)c(-n3c4ccccc4c4ccc(-c5nc6ccccc6n5C)cc43)c2)nc1
InChIInChI=1S/C39H30N8/c1-44-20-18-40-37(44)27-14-17-31(42-24-27)25-12-16-30(39-41-19-21-45(39)2)36(22-25)47-33-10-6-4-8-28(33)29-15-13-26(23-35(29)47)38-43-32-9-5-7-11-34(32)46(38)3/h4-24H,1-3H3
InChIKeyUMOOKVKEDJNXCW-UHFFFAOYSA-N
MW610.73 g/mol
LogP8.20
Rot. Bonds5

About 2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole

2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole (PubChem CID 142328204) has the molecular formula C39H30N8 and a molecular weight of 610.73 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole
PubChem CID142328204
Molecular FormulaC39H30N8
Molecular Weight610.73 g/mol
Exact Mass610.26
IUPAC Name2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole
SMILESCn1ccnc1-c1ccc(-c2ccc(-c3nccn3C)c(-n3c4ccccc4c4ccc(-c5nc6ccccc6n5C)cc43)c2)nc1
InChIInChI=1S/C39H30N8/c1-44-20-18-40-37(44)27-14-17-31(42-24-27)25-12-16-30(39-41-19-21-45(39)2)36(22-25)47-33-10-6-4-8-28(33)29-15-13-26(23-35(29)47)38-43-32-9-5-7-11-34(32)46(38)3/h4-24H,1-3H3
InChIKeyUMOOKVKEDJNXCW-UHFFFAOYSA-N
XLogP8.20
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.73
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-methyl-7-(1-methylimidazol-2-yl)benzimidazol-2-yl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328673
2-[9-[3-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285100
2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole
CID 142329012
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
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-(3-pyridin-2-ylphenyl)-7-pyrrol-1-ylcarbazole
CID 142329038
1-methyl-2-(1-methylimidazol-2-yl)benzimidazole
CID 71348433
2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328473
2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328497
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285580
2-[1-methyl-6-(4-phenylphenyl)benzimidazol-2-yl]-9-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]carbazole
CID 153285674

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole (CID 142328204) is 2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole is Cn1ccnc1-c1ccc(-c2ccc(-c3nccn3C)c(-n3c4ccccc4c4ccc(-c5nc6ccccc6n5C)cc43)c2)nc1.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole?
The InChIKey is UMOOKVKEDJNXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N8/c1-44-20-18-40-37(44)27-14-17-31(42-24-27)25-12-16-30(39-41-19-21-45(39)2)36(22-25)47-33-10-6-4-8-28(33)29-15-13-26(23-35(29)47)38-43-32-9-5-7-11-34(32)46(38)3/h4-24H,1-3H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole?
2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole has a molecular weight of 610.73 g/mol, XLogP of 8.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-9-[2-(1-methylimidazol-2-yl)-5-[5-(1-methylimidazol-2-yl)-2-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 142328204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).