2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole

C41H28N4 — CID 142328473

IUPAC2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
SMILESCn1c(-c2ccc3c4cc(-c5ccc6ccccc6c5)ccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2ccccc21
InChIInChI=1S/C41H28N4/c1-44-39-15-5-4-14-37(39)43-41(44)32-18-20-34-35-25-30(29-17-16-27-9-2-3-10-28(27)23-29)19-21-38(35)45(40(34)26-32)33-12-8-11-31(24-33)36-13-6-7-22-42-36/h2-26H,1H3
InChIKeySBTTZWXUBXXOBQ-UHFFFAOYSA-N
MW576.70 g/mol
LogP10.22
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole

2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole (PubChem CID 142328473) has the molecular formula C41H28N4 and a molecular weight of 576.70 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
PubChem CID142328473
Molecular FormulaC41H28N4
Molecular Weight576.70 g/mol
Exact Mass576.23
IUPAC Name2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
SMILESCn1c(-c2ccc3c4cc(-c5ccc6ccccc6c5)ccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2ccccc21
InChIInChI=1S/C41H28N4/c1-44-39-15-5-4-14-37(39)43-41(44)32-18-20-34-35-25-30(29-17-16-27-9-2-3-10-28(27)23-29)19-21-38(35)45(40(34)26-32)33-12-8-11-31(24-33)36-13-6-7-22-42-36/h2-26H,1H3
InChIKeySBTTZWXUBXXOBQ-UHFFFAOYSA-N
XLogP10.22
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
CID 142329290
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-(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
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;1-methyl-2-[4-[7-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
CID 167643238
2-(1-methyl-7-pyridin-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285156
2-[1-methyl-7-(1-methylimidazol-2-yl)benzimidazol-2-yl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328673
2-(1-methylbenzimidazol-2-yl)-9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)-6-pyrrol-1-ylcarbazole
CID 142329012
3,6-bis(furan-2-yl)-2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328409

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole (CID 142328473) is 2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole is Cn1c(-c2ccc3c4cc(-c5ccc6ccccc6c5)ccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole?
The InChIKey is SBTTZWXUBXXOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4/c1-44-39-15-5-4-14-37(39)43-41(44)32-18-20-34-35-25-30(29-17-16-27-9-2-3-10-28(27)23-29)19-21-38(35)45(40(34)26-32)33-12-8-11-31(24-33)36-13-6-7-22-42-36/h2-26H,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole?
2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole has a molecular weight of 576.70 g/mol, XLogP of 10.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-6-naphthalen-2-yl-9-(3-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 142328473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).