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

C51H33N9 — CID 155186055

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

1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole (PubChem CID 155186055) has the molecular formula C51H33N9 and a molecular weight of 771.89 g/mol. Its IUPAC name is 1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole.

Molecular Properties

• Compound Name: 1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole
• PubChem CID: 155186055
• Molecular Formula: C51H33N9
• Molecular Weight: 771.89 g/mol
• Exact Mass: 771.29
• IUPAC Name: 1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole
• SMILES: c1ccc(-c2ccccc2-c2nc(-c3cccc(-n4c(-c5cccnc5)nc5ccccc54)c3)nc(-c3cccc(-n4c(-c5cccnc5)nc5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C51H33N9/c1-2-14-34(15-3-1)41-22-4-5-23-42(41)49-57-47(35-16-10-20-39(30-35)59-45-26-8-6-24-43(45)54-50(59)37-18-12-28-52-32-37)56-48(58-49)36-17-11-21-40(31-36)60-46-27-9-7-25-44(46)55-51(60)38-19-13-29-53-33-38/h1-33H
• InChIKey: SKVSKKKBYLASOG-UHFFFAOYSA-N
• XLogP: 11.34
• TPSA: 100.09 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.89
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole?

The IUPAC name of 1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole (CID 155186055) is 1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole.

What is the SMILES notation for 1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole?

The canonical SMILES for 1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole is c1ccc(-c2ccccc2-c2nc(-c3cccc(-n4c(-c5cccnc5)nc5ccccc54)c3)nc(-c3cccc(-n4c(-c5cccnc5)nc5ccccc54)c3)n2)cc1.

What is the InChIKey of 1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole?

The InChIKey is SKVSKKKBYLASOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N9/c1-2-14-34(15-3-1)41-22-4-5-23-42(41)49-57-47(35-16-10-20-39(30-35)59-45-26-8-6-24-43(45)54-50(59)37-18-12-28-52-32-37)56-48(58-49)36-17-11-21-40(31-36)60-46-27-9-7-25-44(46)55-51(60)38-19-13-29-53-33-38/h1-33H.

What are the key properties of 1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole?

1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole has a molecular weight of 771.89 g/mol, XLogP of 11.34, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(2-phenylphenyl)-6-[3-(2-pyridin-3-ylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-pyridin-3-ylbenzimidazole is sourced from PubChem (CID 155186055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).