4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene

C51H31N9 — CID 122546209

About 4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene

4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene (PubChem CID 122546209) has the molecular formula C51H31N9 and a molecular weight of 769.87 g/mol. Its IUPAC name is 4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene.

Molecular Properties

• Compound Name: 4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
• PubChem CID: 122546209
• Molecular Formula: C51H31N9
• Molecular Weight: 769.87 g/mol
• Exact Mass: 769.27
• IUPAC Name: 4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
• SMILES: c1ccc(-n2c3ccc(-n4c5nc6ccccc6n5c5ccc(-n6c7ccccc7c7ccccc76)cc5n5c6ccccc6nc45)cc3n3c4ccccc4nc23)cc1
• InChI: InChI=1S/C51H31N9/c1-2-14-32(15-3-1)56-45-28-27-34(31-47(45)59-43-24-12-7-19-38(43)52-49(56)59)57-50-53-37-18-6-11-23-42(37)58(50)46-29-26-33(30-48(46)60-44-25-13-8-20-39(44)54-51(57)60)55-40-21-9-4-16-35(40)36-17-5-10-22-41(36)55/h1-31H
• InChIKey: DGKKBZBRUOOYOF-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 66.69 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.87
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene?

The IUPAC name of 4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene (CID 122546209) is 4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene.

What is the SMILES notation for 4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene?

The canonical SMILES for 4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene is c1ccc(-n2c3ccc(-n4c5nc6ccccc6n5c5ccc(-n6c7ccccc7c7ccccc76)cc5n5c6ccccc6nc45)cc3n3c4ccccc4nc23)cc1.

What is the InChIKey of 4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene?

The InChIKey is DGKKBZBRUOOYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N9/c1-2-14-32(15-3-1)56-45-28-27-34(31-47(45)59-43-24-12-7-19-38(43)52-49(56)59)57-50-53-37-18-6-11-23-42(37)58(50)46-29-26-33(30-48(46)60-44-25-13-8-20-39(44)54-51(57)60)55-40-21-9-4-16-35(40)36-17-5-10-22-41(36)55/h1-31H.

What are the key properties of 4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene?

4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene has a molecular weight of 769.87 g/mol, XLogP of 11.64, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene is sourced from PubChem (CID 122546209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).