6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene

C53H33N5 — CID 162483647

About 6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene

6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene (PubChem CID 162483647) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene.

Molecular Properties

• Compound Name: 6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene
• PubChem CID: 162483647
• Molecular Formula: C53H33N5
• Molecular Weight: 739.88 g/mol
• Exact Mass: 739.27
• IUPAC Name: 6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene
• SMILES: c1ccc(-c2ccc3c4c5c6ccccc6n6c(-c7ccccc7)nc(-c7ccccc7)c6c5ccc4n(-c4nc5ccccc5nc4-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C53H33N5/c1-5-17-34(18-6-1)38-29-30-40-46(33-38)57(53-50(36-21-9-3-10-22-36)54-42-26-14-15-27-43(42)55-53)45-32-31-41-47(48(40)45)39-25-13-16-28-44(39)58-51(41)49(35-19-7-2-8-20-35)56-52(58)37-23-11-4-12-24-37/h1-33H
• InChIKey: MALJBDNYYYOJIF-UHFFFAOYSA-N
• XLogP: 13.35
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.88
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene?

The IUPAC name of 6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene (CID 162483647) is 6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene.

What is the SMILES notation for 6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene?

The canonical SMILES for 6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene is c1ccc(-c2ccc3c4c5c6ccccc6n6c(-c7ccccc7)nc(-c7ccccc7)c6c5ccc4n(-c4nc5ccccc5nc4-c4ccccc4)c3c2)cc1.

What is the InChIKey of 6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene?

The InChIKey is MALJBDNYYYOJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-5-17-34(18-6-1)38-29-30-40-46(33-38)57(53-50(36-21-9-3-10-22-36)54-42-26-14-15-27-43(42)55-53)45-32-31-41-47(48(40)45)39-25-13-16-28-44(39)58-51(41)49(35-19-7-2-8-20-35)56-52(58)37-23-11-4-12-24-37/h1-33H.

What are the key properties of 6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene?

6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene has a molecular weight of 739.88 g/mol, XLogP of 13.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene is sourced from PubChem (CID 162483647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).