5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole

C111H71N9 — CID 137386257

About 5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole

5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 137386257) has the molecular formula C111H71N9 and a molecular weight of 1530.85 g/mol. Its IUPAC name is 5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole
• PubChem CID: 137386257
• Molecular Formula: C111H71N9
• Molecular Weight: 1530.85 g/mol
• Exact Mass: 1529.58
• IUPAC Name: 5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole
• SMILES: c1ccc(-c2cc(-c3cccc(-c4cccc5nc6n(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c7ccccc7n6c45)c3)cc(-c3cccc(-n4c5ccccc5n5c6ccc(-c7ccc(-c8cc(-c9ccccc9)cc(-n9c%10cc(-c%11ccccc%11)ccc%10n%10c%11ccc(-c%12ccccc%12)cc%11nc9%10)c8)cc7)cc6nc45)c3)c2)cc1
• InChI: InChI=1S/C111H71N9/c1-7-26-72(27-8-1)82-52-55-101-98(69-82)114-110-117(107-71-84(54-57-106(107)119(101)110)73-28-9-2-10-29-73)95-67-91(77-36-17-6-18-37-77)63-92(68-95)79-50-48-78(49-51-79)83-53-56-100-99(70-83)113-109-115(102-44-19-21-46-104(102)118(100)109)93-41-24-39-81(64-93)88-60-86(74-30-11-3-12-31-74)59-87(61-88)80-38-23-40-85(58-80)96-42-25-43-97-108(96)120-105-47-22-20-45-103(105)116(111(120)112-97)94-65-89(75-32-13-4-14-33-75)62-90(66-94)76-34-15-5-16-35-76/h1-71H
• InChIKey: FOQVELBRVNUMOH-UHFFFAOYSA-N
• XLogP: 28.26
• TPSA: 66.69 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1530.85
LogP ≤ 5	28.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole (CID 137386257) is 5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole is c1ccc(-c2cc(-c3cccc(-c4cccc5nc6n(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c7ccccc7n6c45)c3)cc(-c3cccc(-n4c5ccccc5n5c6ccc(-c7ccc(-c8cc(-c9ccccc9)cc(-n9c%10cc(-c%11ccccc%11)ccc%10n%10c%11ccc(-c%12ccccc%12)cc%11nc9%10)c8)cc7)cc6nc45)c3)c2)cc1.

What is the InChIKey of 5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole?

The InChIKey is FOQVELBRVNUMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H71N9/c1-7-26-72(27-8-1)82-52-55-101-98(69-82)114-110-117(107-71-84(54-57-106(107)119(101)110)73-28-9-2-10-29-73)95-67-91(77-36-17-6-18-37-77)63-92(68-95)79-50-48-78(49-51-79)83-53-56-100-99(70-83)113-109-115(102-44-19-21-46-104(102)118(100)109)93-41-24-39-81(64-93)88-60-86(74-30-11-3-12-31-74)59-87(61-88)80-38-23-40-85(58-80)96-42-25-43-97-108(96)120-105-47-22-20-45-103(105)116(111(120)112-97)94-65-89(75-32-13-4-14-33-75)62-90(66-94)76-34-15-5-16-35-76/h1-71H.

What are the key properties of 5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole?

5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 1530.85 g/mol, XLogP of 28.26, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[6-[3-[3-[3-[6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]-5-phenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-3-yl]phenyl]-5-phenylphenyl]-3,8-diphenylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 137386257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).