2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide

C48H32NOP — CID 153292066

About 2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide

2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide (PubChem CID 153292066) has the molecular formula C48H32NOP and a molecular weight of 669.76 g/mol. Its IUPAC name is 2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide.

Molecular Properties

• Compound Name: 2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide
• PubChem CID: 153292066
• Molecular Formula: C48H32NOP
• Molecular Weight: 669.76 g/mol
• Exact Mass: 669.22
• IUPAC Name: 2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide
• SMILES: O=P1(c2ccccc2)c2ccccc2N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc21
• InChI: InChI=1S/C48H32NOP/c50-51(36-20-5-2-6-21-36)45-29-14-13-28-43(45)49(35-18-3-1-4-19-35)44-31-30-34(32-46(44)51)47-39-23-9-11-25-41(39)48(42-26-12-10-24-40(42)47)38-27-15-17-33-16-7-8-22-37(33)38/h1-32H
• InChIKey: UOSCWQXRSZJIOE-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.76
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide?

The IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide (CID 153292066) is 2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide.

What is the SMILES notation for 2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide?

The canonical SMILES for 2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide is O=P1(c2ccccc2)c2ccccc2N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc21.

What is the InChIKey of 2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide?

The InChIKey is UOSCWQXRSZJIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32NOP/c50-51(36-20-5-2-6-21-36)45-29-14-13-28-43(45)49(35-18-3-1-4-19-35)44-31-30-34(32-46(44)51)47-39-23-9-11-25-41(39)48(42-26-12-10-24-40(42)47)38-27-15-17-33-16-7-8-22-37(33)38/h1-32H.

What are the key properties of 2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide?

2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide has a molecular weight of 669.76 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10-naphthalen-1-ylanthracen-9-yl)-5,10-diphenylphenophosphazinine 10-oxide is sourced from PubChem (CID 153292066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).