3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene

C41H26N4 — CID 122465292

About 3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene

3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene (PubChem CID 122465292) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene.

Molecular Properties

• Compound Name: 3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
• PubChem CID: 122465292
• Molecular Formula: C41H26N4
• Molecular Weight: 574.69 g/mol
• Exact Mass: 574.22
• IUPAC Name: 3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
• SMILES: c1ccc(-n2cnc3ccc(-n4c5ccccc5c5ccc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c54)cc32)cc1
• InChI: InChI=1S/C41H26N4/c1-3-11-27(12-4-1)43-26-42-36-24-19-29(25-39(36)43)45-38-18-10-8-16-31(38)33-21-22-34-35(41(33)45)23-20-32-30-15-7-9-17-37(30)44(40(32)34)28-13-5-2-6-14-28/h1-26H
• InChIKey: VWULHZBJZBYSEU-UHFFFAOYSA-N
• XLogP: 10.37
• TPSA: 27.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.69
LogP ≤ 5	10.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?

The IUPAC name of 3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene (CID 122465292) is 3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene.

What is the SMILES notation for 3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?

The canonical SMILES for 3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene is c1ccc(-n2cnc3ccc(-n4c5ccccc5c5ccc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c54)cc32)cc1.

What is the InChIKey of 3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?

The InChIKey is VWULHZBJZBYSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c1-3-11-27(12-4-1)43-26-42-36-24-19-29(25-39(36)43)45-38-18-10-8-16-31(38)33-21-22-34-35(41(33)45)23-20-32-30-15-7-9-17-37(30)44(40(32)34)28-13-5-2-6-14-28/h1-26H.

What are the key properties of 3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene?

3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene has a molecular weight of 574.69 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-15-(3-phenylbenzimidazol-5-yl)-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 122465292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).