2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile

C75H46N8 — CID 155178334

About 2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile

2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile (PubChem CID 155178334) has the molecular formula C75H46N8 and a molecular weight of 1059.25 g/mol. Its IUPAC name is 2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile
• PubChem CID: 155178334
• Molecular Formula: C75H46N8
• Molecular Weight: 1059.25 g/mol
• Exact Mass: 1058.38
• IUPAC Name: 2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile
• SMILES: N#Cc1c(-c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3n3c4cc(-c5ccccc5)ccc4nc23)cc(-n2c3ccc(-c4ccccc4)cc3n3c4cc(-c5ccccc5)ccc4nc23)c1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C75H46N8/c76-47-59-72(52-28-14-5-15-29-52)70(80-64-40-36-55(50-24-10-3-11-25-50)44-68(64)82-66-42-53(48-20-6-1-7-21-48)34-38-60(66)77-74(80)82)46-71(73(59)79-62-32-18-16-30-57(62)58-31-17-19-33-63(58)79)81-65-41-37-56(51-26-12-4-13-27-51)45-69(65)83-67-43-54(49-22-8-2-9-23-49)35-39-61(67)78-75(81)83/h1-46H
• InChIKey: GIDZXLDPTHFZGR-UHFFFAOYSA-N
• XLogP: 18.48
• TPSA: 73.18 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1059.25
LogP ≤ 5	18.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile?

The IUPAC name of 2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile (CID 155178334) is 2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile.

What is the SMILES notation for 2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile?

The canonical SMILES for 2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile is N#Cc1c(-c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3n3c4cc(-c5ccccc5)ccc4nc23)cc(-n2c3ccc(-c4ccccc4)cc3n3c4cc(-c5ccccc5)ccc4nc23)c1-n1c2ccccc2c2ccccc21.

What is the InChIKey of 2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile?

The InChIKey is GIDZXLDPTHFZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H46N8/c76-47-59-72(52-28-14-5-15-29-52)70(80-64-40-36-55(50-24-10-3-11-25-50)44-68(64)82-66-42-53(48-20-6-1-7-21-48)34-38-60(66)77-74(80)82)46-71(73(59)79-62-32-18-16-30-57(62)58-31-17-19-33-63(58)79)81-65-41-37-56(51-26-12-4-13-27-51)45-69(65)83-67-43-54(49-22-8-2-9-23-49)35-39-61(67)78-75(81)83/h1-46H.

What are the key properties of 2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile?

2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile has a molecular weight of 1059.25 g/mol, XLogP of 18.48, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-6-phenylbenzonitrile is sourced from PubChem (CID 155178334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).