5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide

C36H24NOP — CID 90070094

About 5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide

5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide (PubChem CID 90070094) has the molecular formula C36H24NOP and a molecular weight of 517.57 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide.

Molecular Properties

• Compound Name: 5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide
• PubChem CID: 90070094
• Molecular Formula: C36H24NOP
• Molecular Weight: 517.57 g/mol
• Exact Mass: 517.16
• IUPAC Name: 5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide
• SMILES: O=P12c3ccccc3-c3ccccc3N1c1ccc(-c3ccc(-c4ccccc4)cc3)cc1-c1ccccc12
• InChI: InChI=1S/C36H24NOP/c38-39-35-16-8-5-13-30(35)29-12-4-7-15-33(29)37(39)34-23-22-28(24-32(34)31-14-6-9-17-36(31)39)27-20-18-26(19-21-27)25-10-2-1-3-11-25/h1-24H
• InChIKey: FMSKSPZZXHDZPC-UHFFFAOYSA-N
• XLogP: 9.05
• TPSA: 20.31 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.57
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide?

The IUPAC name of 5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide (CID 90070094) is 5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide.

What is the SMILES notation for 5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide?

The canonical SMILES for 5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide is O=P12c3ccccc3-c3ccccc3N1c1ccc(-c3ccc(-c4ccccc4)cc3)cc1-c1ccccc12.

What is the InChIKey of 5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide?

The InChIKey is FMSKSPZZXHDZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24NOP/c38-39-35-16-8-5-13-30(35)29-12-4-7-15-33(29)37(39)34-23-22-28(24-32(34)31-14-6-9-17-36(31)39)27-20-18-26(19-21-27)25-10-2-1-3-11-25/h1-24H.

What are the key properties of 5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide?

5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide has a molecular weight of 517.57 g/mol, XLogP of 9.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-phenylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene 14-oxide is sourced from PubChem (CID 90070094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).