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

C33H22N6 — CID 155173998

IUPAC2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5n4-c4ccncc4)cc3)n2)cc1
InChIInChI=1S/C33H22N6/c1-3-9-23(10-4-1)30-36-31(24-11-5-2-6-12-24)38-32(37-30)25-15-17-26(18-16-25)33-35-28-13-7-8-14-29(28)39(33)27-19-21-34-22-20-27/h1-22H
InChIKeyTXUISTJXHMTING-UHFFFAOYSA-N
MW502.58 g/mol
LogP7.27
Rot. Bonds5

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

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole (PubChem CID 155173998) has the molecular formula C33H22N6 and a molecular weight of 502.58 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole.

Molecular Properties

Compound Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
PubChem CID155173998
Molecular FormulaC33H22N6
Molecular Weight502.58 g/mol
Exact Mass502.19
IUPAC Name2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5n4-c4ccncc4)cc3)n2)cc1
InChIInChI=1S/C33H22N6/c1-3-9-23(10-4-1)30-36-31(24-11-5-2-6-12-24)38-32(37-30)25-15-17-26(18-16-25)33-35-28-13-7-8-14-29(28)39(33)27-19-21-34-22-20-27/h1-22H
InChIKeyTXUISTJXHMTING-UHFFFAOYSA-N
XLogP7.27
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
2-[3,5-bis[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole
CID 155179345
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-methylphenyl)benzimidazol-1-yl]phenyl]-2-(4-methylphenyl)benzimidazole
CID 155173966
2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 161484378
1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole
CID 155140715
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 163796534
1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 171812770
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole?
The IUPAC name of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole (CID 155173998) is 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole.
What is the SMILES notation for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole?
The canonical SMILES for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5n4-c4ccncc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole?
The InChIKey is TXUISTJXHMTING-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N6/c1-3-9-23(10-4-1)30-36-31(24-11-5-2-6-12-24)38-32(37-30)25-15-17-26(18-16-25)33-35-28-13-7-8-14-29(28)39(33)27-19-21-34-22-20-27/h1-22H.
What are the key properties of 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole?
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole has a molecular weight of 502.58 g/mol, XLogP of 7.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole is sourced from PubChem (CID 155173998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).