2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole

C35H27N5 — CID 135247367

IUPAC2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
SMILESCC1C=CC(c2nc(-c3ccccc3)nc(-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)n2)=CC1
InChIInChI=1S/C35H27N5/c1-24-20-22-26(23-21-24)33-37-32(25-12-4-2-5-13-25)38-34(39-33)28-16-8-9-17-29(28)35-36-30-18-10-11-19-31(30)40(35)27-14-6-3-7-15-27/h2-20,22-24H,21H2,1H3
InChIKeyKZGVWZCECBQLQK-UHFFFAOYSA-N
MW517.64 g/mol
LogP8.19
Rot. Bonds5

About 2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole

2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 135247367) has the molecular formula C35H27N5 and a molecular weight of 517.64 g/mol. Its IUPAC name is 2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
PubChem CID135247367
Molecular FormulaC35H27N5
Molecular Weight517.64 g/mol
Exact Mass517.23
IUPAC Name2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
SMILESCC1C=CC(c2nc(-c3ccccc3)nc(-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)n2)=CC1
InChIInChI=1S/C35H27N5/c1-24-20-22-26(23-21-24)33-37-32(25-12-4-2-5-13-25)38-34(39-33)28-16-8-9-17-29(28)35-36-30-18-10-11-19-31(30)40(35)27-14-6-3-7-15-27/h2-20,22-24H,21H2,1H3
InChIKeyKZGVWZCECBQLQK-UHFFFAOYSA-N
XLogP8.19
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.64
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-di(propan-2-yl)phenyl]-2-[2-[4-[2-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186043
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 129099562
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(9-methyldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine
CID 142519305
2-phenyl-3-[4-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6H-cyclohepta[d]imidazole
CID 155186078
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(2-methylphenyl)benzimidazol-1-yl]phenyl]-2-(2-methylphenyl)benzimidazole
CID 155173960
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
1-[2-[4-phenyl-6-[2-[2-(2-propan-2-ylphenyl)benzimidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(2-propan-2-ylphenyl)benzimidazole
CID 155185803
2-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-1-phenylbenzimidazole
CID 70830045
3-[6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcyclohexa-1,5-dien-1-yl]-9-phenylcarbazole
CID 139302548

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole (CID 135247367) is 2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole is CC1C=CC(c2nc(-c3ccccc3)nc(-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)n2)=CC1.
What is the InChIKey of 2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole?
The InChIKey is KZGVWZCECBQLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N5/c1-24-20-22-26(23-21-24)33-37-32(25-12-4-2-5-13-25)38-34(39-33)28-16-8-9-17-29(28)35-36-30-18-10-11-19-31(30)40(35)27-14-6-3-7-15-27/h2-20,22-24H,21H2,1H3.
What are the key properties of 2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole?
2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole has a molecular weight of 517.64 g/mol, XLogP of 8.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 135247367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).