N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine

C71H47N5 — CID 155766515

About N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine

N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine (PubChem CID 155766515) has the molecular formula C71H47N5 and a molecular weight of 970.19 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
• PubChem CID: 155766515
• Molecular Formula: C71H47N5
• Molecular Weight: 970.19 g/mol
• Exact Mass: 969.38
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
• InChI: InChI=1S/C71H47N5/c1-70(2)57-25-11-6-20-49(57)53-36-32-46(41-61(53)70)73(47-33-37-54-52-23-9-14-28-60(52)71(62(54)42-47)58-26-12-7-21-50(58)51-22-8-13-27-59(51)71)48-35-39-67-68(43-48)76-66-31-17-15-29-63(66)72-69(76)75(67)45-34-38-65-56(40-45)55-24-10-16-30-64(55)74(65)44-18-4-3-5-19-44/h3-43H,1-2H3
• InChIKey: MBCLDSFXUGONIT-UHFFFAOYSA-N
• XLogP: 17.65
• TPSA: 30.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.19
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine (CID 155766515) is N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine?

The InChIKey is MBCLDSFXUGONIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N5/c1-70(2)57-25-11-6-20-49(57)53-36-32-46(41-61(53)70)73(47-33-37-54-52-23-9-14-28-60(52)71(62(54)42-47)58-26-12-7-21-50(58)51-22-8-13-27-59(51)71)48-35-39-67-68(43-48)76-66-31-17-15-29-63(66)72-69(76)75(67)45-34-38-65-56(40-45)55-24-10-16-30-64(55)74(65)44-18-4-3-5-19-44/h3-43H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine?

N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine has a molecular weight of 970.19 g/mol, XLogP of 17.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 155766515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).