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

C59H55N7 — CID 155186043

About 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

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 (PubChem CID 155186043) has the molecular formula C59H55N7 and a molecular weight of 862.14 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 155186043
• Molecular Formula: C59H55N7
• Molecular Weight: 862.14 g/mol
• Exact Mass: 861.45
• IUPAC Name: 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
• SMILES: CC(C)c1cc(C(C)C)cc(-n2c(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4-c4nc5ccccc5n4-c4cc(C(C)C)cc(C(C)C)c4)n3)nc3ccccc32)c1
• InChI: InChI=1S/C59H55N7/c1-36(2)41-30-42(37(3)4)33-45(32-41)65-53-28-18-16-26-51(53)60-58(65)49-24-14-12-22-47(49)56-62-55(40-20-10-9-11-21-40)63-57(64-56)48-23-13-15-25-50(48)59-61-52-27-17-19-29-54(52)66(59)46-34-43(38(5)6)31-44(35-46)39(7)8/h9-39H,1-8H3
• InChIKey: SXVVLPRSUMMUOY-UHFFFAOYSA-N
• XLogP: 15.38
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.14
LogP ≤ 5	15.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)c1cc(C(C)C)cc(-n2c(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4-c4nc5ccccc5n4-c4cc(C(C)C)cc(C(C)C)c4)n3)nc3ccccc32)c1.

What is the InChIKey of 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?

The InChIKey is SXVVLPRSUMMUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H55N7/c1-36(2)41-30-42(37(3)4)33-45(32-41)65-53-28-18-16-26-51(53)60-58(65)49-24-14-12-22-47(49)56-62-55(40-20-10-9-11-21-40)63-57(64-56)48-23-13-15-25-50(48)59-61-52-27-17-19-29-54(52)66(59)46-34-43(38(5)6)31-44(35-46)39(7)8/h9-39H,1-8H3.

What are the key properties of 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?

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 has a molecular weight of 862.14 g/mol, XLogP of 15.38, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 155186043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).