5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine

C₅₆H₃₆N₄ — CID 155766508

About 5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine

5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine (PubChem CID 155766508) has the molecular formula C₅₆H₃₆N₄ and a molecular weight of 764.93 g/mol. Its IUPAC name is 5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine.

Molecular Properties

• Compound Name: 5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
• PubChem CID: 155766508
• Molecular Formula: C₅₆H₃₆N₄
• Molecular Weight: 764.93 g/mol
• Exact Mass: 764.29
• IUPAC Name: 5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
• InChI: InChI=1S/C56H36N4/c1-3-16-37(17-4-1)38-30-32-40(33-31-38)58(41-34-35-51-53(36-41)60-50-28-14-13-27-49(50)57-55(60)59(51)39-18-5-2-6-19-39)52-29-15-26-48-54(52)44-22-9-12-25-47(44)56(48)45-23-10-7-20-42(45)43-21-8-11-24-46(43)56/h1-36H
• InChIKey: GKHSDCSIPCPBFG-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 25.47 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.93
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine?

The IUPAC name of 5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine (CID 155766508) is 5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine.

What is the SMILES notation for 5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine?

The canonical SMILES for 5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.

What is the InChIKey of 5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine?

The InChIKey is GKHSDCSIPCPBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-3-16-37(17-4-1)38-30-32-40(33-31-38)58(41-34-35-51-53(36-41)60-50-28-14-13-27-49(50)57-55(60)59(51)39-18-5-2-6-19-39)52-29-15-26-48-54(52)44-22-9-12-25-47(44)56(48)45-23-10-7-20-42(45)43-21-8-11-24-46(43)56/h1-36H.

What are the key properties of 5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine?

5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine has a molecular weight of 764.93 g/mol, XLogP of 13.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 155766508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155766508 — identifiers, structure, computed properties (public domain)

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