2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole

C39H27N5 — CID 135245155

IUPAC2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole
SMILESCn1c(-c2ccc(-c3ccc4ccccc4c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)nc2ccccc21
InChIInChI=1S/C39H27N5/c1-44-34-19-11-10-18-33(34)40-39(44)30-22-20-27(21-23-30)32-25-24-26-12-8-9-17-31(26)35(32)38-42-36(28-13-4-2-5-14-28)41-37(43-38)29-15-6-3-7-16-29/h2-25H,1H3
InChIKeyCZWZDBGXXNIWQD-UHFFFAOYSA-N
MW565.68 g/mol
LogP9.25
Rot. Bonds5

About 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole

2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole (PubChem CID 135245155) has the molecular formula C39H27N5 and a molecular weight of 565.68 g/mol. Its IUPAC name is 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole
PubChem CID135245155
Molecular FormulaC39H27N5
Molecular Weight565.68 g/mol
Exact Mass565.23
IUPAC Name2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole
SMILESCn1c(-c2ccc(-c3ccc4ccccc4c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)nc2ccccc21
InChIInChI=1S/C39H27N5/c1-44-34-19-11-10-18-33(34)40-39(44)30-22-20-27(21-23-30)32-25-24-26-12-8-9-17-31(26)35(32)38-42-36(28-13-4-2-5-14-28)41-37(43-38)29-15-6-3-7-16-29/h2-25H,1H3
InChIKeyCZWZDBGXXNIWQD-UHFFFAOYSA-N
XLogP9.25
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-2-phenylbenzimidazole
CID 1221687
1-methyl-2-(2-phenylvinyl)-1H-benzimidazole
CID 5708370
2-butyl-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole
CID 4286584
1,2-dibenzyl-1H-1,3-benzodiazole
CID 1350539
(1-(2,5-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)methanol
CID 962431
1-(4-Methylbenzyl)-2-(4-methylphenyl)-1h-benzimidazole
CID 15552557
6,7-dimethyl-6H-indolo[2,3-b]quinoxaline
CID 3742567
4-(3-Methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 5061586
2-Methyl-1-[(2-methylphenyl)methyl]benzimidazole
CID 2139165
1-(2-Methylprop-2-enyl)-2-phenylbenzimidazole
CID 881644
1-(mesitylmethyl)-1H-benzimidazole
CID 955210
1-Benzyl-2-(4-methyl-piperazin-1-yl)-1H-benzoimidazole
CID 2773189

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole?
The IUPAC name of 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole (CID 135245155) is 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole is Cn1c(-c2ccc(-c3ccc4ccccc4c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)nc2ccccc21.
What is the InChIKey of 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole?
The InChIKey is CZWZDBGXXNIWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N5/c1-44-34-19-11-10-18-33(34)40-39(44)30-22-20-27(21-23-30)32-25-24-26-12-8-9-17-31(26)35(32)38-42-36(28-13-4-2-5-14-28)41-37(43-38)29-15-6-3-7-16-29/h2-25H,1H3.
What are the key properties of 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole?
2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole has a molecular weight of 565.68 g/mol, XLogP of 9.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole is sourced from PubChem (CID 135245155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).