24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide

C57H37N2OP — CID 121310541

About 24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide

24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide (PubChem CID 121310541) has the molecular formula C57H37N2OP and a molecular weight of 796.91 g/mol. Its IUPAC name is 24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide.

Molecular Properties

• Compound Name: 24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide
• PubChem CID: 121310541
• Molecular Formula: C57H37N2OP
• Molecular Weight: 796.91 g/mol
• Exact Mass: 796.26
• IUPAC Name: 24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide
• SMILES: O=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccc5ccccc5c4n(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c3c21
• InChI: InChI=1S/C57H37N2OP/c60-61(46-19-8-3-9-20-46)53-23-13-12-22-48(53)51-35-34-50-49-33-32-43-18-10-11-21-47(43)55(49)59(56(50)57(51)61)54-37-45(42-26-24-40(25-27-42)38-14-4-1-5-15-38)36-52(58-54)44-30-28-41(29-31-44)39-16-6-2-7-17-39/h1-37H
• InChIKey: PATMQFBUCMNLDQ-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 34.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.91
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide?

The IUPAC name of 24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide (CID 121310541) is 24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide.

What is the SMILES notation for 24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide?

The canonical SMILES for 24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide is O=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccc5ccccc5c4n(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c3c21.

What is the InChIKey of 24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide?

The InChIKey is PATMQFBUCMNLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N2OP/c60-61(46-19-8-3-9-20-46)53-23-13-12-22-48(53)51-35-34-50-49-33-32-43-18-10-11-21-47(43)55(49)59(56(50)57(51)61)54-37-45(42-26-24-40(25-27-42)38-14-4-1-5-15-38)36-52(58-54)44-30-28-41(29-31-44)39-16-6-2-7-17-39/h1-37H.

What are the key properties of 24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide?

24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide has a molecular weight of 796.91 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide is sourced from PubChem (CID 121310541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).