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

C56H36N4 — CID 155766508

IUPAC5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=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
InChIKeyGKHSDCSIPCPBFG-UHFFFAOYSA-N
MW764.93 g/mol
LogP13.91
Rot. Bonds5

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 Name5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
PubChem CID155766508
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)n3c5ccccc5nc3n4-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=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
InChIKeyGKHSDCSIPCPBFG-UHFFFAOYSA-N
XLogP13.91
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766526
N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482162
N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155430382
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;9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 161301508
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
N-(9,9-dimethylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155766482
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 139479683
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine
CID 155766540
9,9-dimethyl-N-[4-[5-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155766506
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
N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420

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).