8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide

C39H25N4OP — CID 122486936

About 8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide

8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide (PubChem CID 122486936) has the molecular formula C39H25N4OP and a molecular weight of 596.63 g/mol. Its IUPAC name is 8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide.

Molecular Properties

• Compound Name: 8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
• PubChem CID: 122486936
• Molecular Formula: C39H25N4OP
• Molecular Weight: 596.63 g/mol
• Exact Mass: 596.18
• IUPAC Name: 8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
• SMILES: O=P1(c2ccccc2)c2c(-c3nc4ccccc4nc3-c3ccccc3)cccc2-n2c(-c3ccccc3)nc3cccc1c32
• InChI: InChI=1S/C39H25N4OP/c44-45(28-18-8-3-9-19-28)34-25-13-23-32-37(34)43(39(42-32)27-16-6-2-7-17-27)33-24-12-20-29(38(33)45)36-35(26-14-4-1-5-15-26)40-30-21-10-11-22-31(30)41-36/h1-25H
• InChIKey: IBBUYCAYQFKVDT-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 60.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.63
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The IUPAC name of 8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide (CID 122486936) is 8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide.

What is the SMILES notation for 8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The canonical SMILES for 8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide is O=P1(c2ccccc2)c2c(-c3nc4ccccc4nc3-c3ccccc3)cccc2-n2c(-c3ccccc3)nc3cccc1c32.

What is the InChIKey of 8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The InChIKey is IBBUYCAYQFKVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N4OP/c44-45(28-18-8-3-9-19-28)34-25-13-23-32-37(34)43(39(42-32)27-16-6-2-7-17-27)33-24-12-20-29(38(33)45)36-35(26-14-4-1-5-15-26)40-30-21-10-11-22-31(30)41-36/h1-25H.

What are the key properties of 8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide has a molecular weight of 596.63 g/mol, XLogP of 7.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8,15-diphenyl-6-(3-phenylquinoxalin-2-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide is sourced from PubChem (CID 122486936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).