9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole

C70H46N6 — CID 154624109

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 154624109) has the molecular formula C70H46N6 and a molecular weight of 971.18 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole
• PubChem CID: 154624109
• Molecular Formula: C70H46N6
• Molecular Weight: 971.18 g/mol
• Exact Mass: 970.38
• IUPAC Name: 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4n4c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)ccc5nc34)c(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C70H46N6/c1-8-22-47(23-9-1)54-38-41-63-65(45-54)75-64-46-55(58-39-36-56(42-59(58)49-26-12-3-13-27-49)69-73-67(52-32-18-6-19-33-52)72-68(74-69)53-34-20-7-21-35-53)37-40-62(64)71-70(75)76(63)66-60(50-28-14-4-15-29-50)43-57(48-24-10-2-11-25-48)44-61(66)51-30-16-5-17-31-51/h1-46H
• InChIKey: RCDTZAIBWHPVPG-UHFFFAOYSA-N
• XLogP: 17.62
• TPSA: 60.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.18
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole (CID 154624109) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2cc(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4n4c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)ccc5nc34)c(-c3ccccc3)c2)cc1.

What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole?

The InChIKey is RCDTZAIBWHPVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N6/c1-8-22-47(23-9-1)54-38-41-63-65(45-54)75-64-46-55(58-39-36-56(42-59(58)49-26-12-3-13-27-49)69-73-67(52-32-18-6-19-33-52)72-68(74-69)53-34-20-7-21-35-53)37-40-62(64)71-70(75)76(63)66-60(50-28-14-4-15-29-50)43-57(48-24-10-2-11-25-48)44-61(66)51-30-16-5-17-31-51/h1-46H.

What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole?

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 971.18 g/mol, XLogP of 17.62, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 154624109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).