9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene

C46H29N7 — CID 154646730

About 9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene

9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene (PubChem CID 154646730) has the molecular formula C46H29N7 and a molecular weight of 679.79 g/mol. Its IUPAC name is 9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene.

Molecular Properties

• Compound Name: 9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
• PubChem CID: 154646730
• Molecular Formula: C46H29N7
• Molecular Weight: 679.79 g/mol
• Exact Mass: 679.25
• IUPAC Name: 9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
• SMILES: c1ccc(-n2c3ccccc3c3c2nc2n(-c4ccccc4)c4cc(-c5ccc6c(c5)n5c7ccccc7nc5n6-c5ccccc5)ccc4n32)cc1
• InChI: InChI=1S/C46H29N7/c1-4-14-32(15-5-1)49-37-22-12-10-20-35(37)43-44(49)48-46-51(34-18-8-3-9-19-34)41-28-30(25-27-40(41)53(43)46)31-24-26-39-42(29-31)52-38-23-13-11-21-36(38)47-45(52)50(39)33-16-6-2-7-17-33/h1-29H
• InChIKey: UWELXHQUMLAVNZ-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 49.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.79
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?

The IUPAC name of 9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene (CID 154646730) is 9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene.

What is the SMILES notation for 9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?

The canonical SMILES for 9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene is c1ccc(-n2c3ccccc3c3c2nc2n(-c4ccccc4)c4cc(-c5ccc6c(c5)n5c7ccccc7nc5n6-c5ccccc5)ccc4n32)cc1.

What is the InChIKey of 9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?

The InChIKey is UWELXHQUMLAVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N7/c1-4-14-32(15-5-1)49-37-22-12-10-20-35(37)43-44(49)48-46-51(34-18-8-3-9-19-34)41-28-30(25-27-40(41)53(43)46)31-24-26-39-42(29-31)52-38-23-13-11-21-36(38)47-45(52)50(39)33-16-6-2-7-17-33/h1-29H.

What are the key properties of 9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?

9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene has a molecular weight of 679.79 g/mol, XLogP of 10.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene is sourced from PubChem (CID 154646730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).