9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide

C58H38NOP — CID 121310717

About 9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide

9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide (PubChem CID 121310717) has the molecular formula C58H38NOP and a molecular weight of 795.92 g/mol. Its IUPAC name is 9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide.

Molecular Properties

• Compound Name: 9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide
• PubChem CID: 121310717
• Molecular Formula: C58H38NOP
• Molecular Weight: 795.92 g/mol
• Exact Mass: 795.27
• IUPAC Name: 9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide
• SMILES: O=P1(c2ccccc2)c2cc3ccccc3cc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc(-c3ccccc3)cc2)c1
• InChI: InChI=1S/C58H38NOP/c60-61(50-20-8-3-9-21-50)56-38-46-19-11-10-18-45(46)37-53(56)51-32-33-55-57(58(51)61)52-22-12-13-23-54(52)59(55)49-35-47(43-28-24-41(25-29-43)39-14-4-1-5-15-39)34-48(36-49)44-30-26-42(27-31-44)40-16-6-2-7-17-40/h1-38H
• InChIKey: RQTAQPZQIZZHDZ-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 22.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.92
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide?

The IUPAC name of 9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide (CID 121310717) is 9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide.

What is the SMILES notation for 9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide?

The canonical SMILES for 9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide is O=P1(c2ccccc2)c2cc3ccccc3cc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc(-c3ccccc3)cc2)c1.

What is the InChIKey of 9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide?

The InChIKey is RQTAQPZQIZZHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38NOP/c60-61(50-20-8-3-9-21-50)56-38-46-19-11-10-18-45(46)37-53(56)51-32-33-55-57(58(51)61)52-22-12-13-23-54(52)59(55)49-35-47(43-28-24-41(25-29-43)39-14-4-1-5-15-39)34-48(36-49)44-30-26-42(27-31-44)40-16-6-2-7-17-40/h1-38H.

What are the key properties of 9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide?

9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide has a molecular weight of 795.92 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide is sourced from PubChem (CID 121310717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).