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

C53H43N7 — CID 155185803

About 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

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 (PubChem CID 155185803) has the molecular formula C53H43N7 and a molecular weight of 777.98 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 155185803
• Molecular Formula: C53H43N7
• Molecular Weight: 777.98 g/mol
• Exact Mass: 777.36
• IUPAC Name: 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
• SMILES: CC(C)c1ccccc1-c1nc2ccccc2n1-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2-n2c(-c3ccccc3C(C)C)nc3ccccc32)n1
• InChI: InChI=1S/C53H43N7/c1-34(2)37-22-8-10-24-39(37)52-54-43-28-14-18-32-47(43)59(52)45-30-16-12-26-41(45)50-56-49(36-20-6-5-7-21-36)57-51(58-50)42-27-13-17-31-46(42)60-48-33-19-15-29-44(48)55-53(60)40-25-11-9-23-38(40)35(3)4/h5-35H,1-4H3
• InChIKey: WXKRASOCDYVHKB-UHFFFAOYSA-N
• XLogP: 13.13
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.98
LogP ≤ 5	13.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)c1ccccc1-c1nc2ccccc2n1-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2-n2c(-c3ccccc3C(C)C)nc3ccccc32)n1.

What is the InChIKey of 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?

The InChIKey is WXKRASOCDYVHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N7/c1-34(2)37-22-8-10-24-39(37)52-54-43-28-14-18-32-47(43)59(52)45-30-16-12-26-41(45)50-56-49(36-20-6-5-7-21-36)57-51(58-50)42-27-13-17-31-46(42)60-48-33-19-15-29-44(48)55-53(60)40-25-11-9-23-38(40)35(3)4/h5-35H,1-4H3.

What are the key properties of 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?

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 has a molecular weight of 777.98 g/mol, XLogP of 13.13, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 155185803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).