3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide

C38H24NOP — CID 121310899

About 3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide

3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide (PubChem CID 121310899) has the molecular formula C38H24NOP and a molecular weight of 541.59 g/mol. Its IUPAC name is 3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide.

Molecular Properties

• Compound Name: 3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide
• PubChem CID: 121310899
• Molecular Formula: C38H24NOP
• Molecular Weight: 541.59 g/mol
• Exact Mass: 541.16
• IUPAC Name: 3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide
• SMILES: O=P1(c2ccccc2)c2ccc3c4ccccc4n(-c4cccc5ccccc45)c3c2-c2ccc3ccccc3c21
• InChI: InChI=1S/C38H24NOP/c40-41(27-14-2-1-3-15-27)35-24-23-31-30-18-8-9-19-34(30)39(33-20-10-13-25-11-4-6-16-28(25)33)37(31)36(35)32-22-21-26-12-5-7-17-29(26)38(32)41/h1-24H
• InChIKey: KYQNYNUCSGAHHH-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 22.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.59
LogP ≤ 5	8.71
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 3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide?

The IUPAC name of 3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide (CID 121310899) is 3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide.

What is the SMILES notation for 3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide?

The canonical SMILES for 3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide is O=P1(c2ccccc2)c2ccc3c4ccccc4n(-c4cccc5ccccc45)c3c2-c2ccc3ccccc3c21.

What is the InChIKey of 3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide?

The InChIKey is KYQNYNUCSGAHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24NOP/c40-41(27-14-2-1-3-15-27)35-24-23-31-30-18-8-9-19-34(30)39(33-20-10-13-25-11-4-6-16-28(25)33)37(31)36(35)32-22-21-26-12-5-7-17-29(26)38(32)41/h1-24H.

What are the key properties of 3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide?

3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide has a molecular weight of 541.59 g/mol, XLogP of 8.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-naphthalen-1-yl-14-phenyl-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 14-oxide is sourced from PubChem (CID 121310899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).