5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide

C49H33N2OP — CID 118003298

About 5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide

5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide (PubChem CID 118003298) has the molecular formula C49H33N2OP and a molecular weight of 696.79 g/mol. Its IUPAC name is 5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide.

Molecular Properties

• Compound Name: 5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide
• PubChem CID: 118003298
• Molecular Formula: C49H33N2OP
• Molecular Weight: 696.79 g/mol
• Exact Mass: 696.23
• IUPAC Name: 5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide
• SMILES: O=P1(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)ccc2N(c2cccc3ccc4cccnc4c23)c2ccc(-c3ccccc3)cc21
• InChI: InChI=1S/C49H33N2OP/c52-53(42-27-23-37(24-28-42)34-12-4-1-5-13-34)46-32-40(35-14-6-2-7-15-35)25-29-43(46)51(44-30-26-41(33-47(44)53)36-16-8-3-9-17-36)45-20-10-18-38-21-22-39-19-11-31-50-49(39)48(38)45/h1-33H
• InChIKey: MZBIBNJRQVBQJA-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 33.20 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.79
LogP ≤ 5	11.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide?

The IUPAC name of 5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide (CID 118003298) is 5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide.

What is the SMILES notation for 5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide?

The canonical SMILES for 5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide is O=P1(c2ccc(-c3ccccc3)cc2)c2cc(-c3ccccc3)ccc2N(c2cccc3ccc4cccnc4c23)c2ccc(-c3ccccc3)cc21.

What is the InChIKey of 5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide?

The InChIKey is MZBIBNJRQVBQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N2OP/c52-53(42-27-23-37(24-28-42)34-12-4-1-5-13-34)46-32-40(35-14-6-2-7-15-35)25-29-43(46)51(44-30-26-41(33-47(44)53)36-16-8-3-9-17-36)45-20-10-18-38-21-22-39-19-11-31-50-49(39)48(38)45/h1-33H.

What are the key properties of 5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide?

5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide has a molecular weight of 696.79 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzo[h]quinolin-10-yl-2,8-diphenyl-10-(4-phenylphenyl)phenophosphazinine 10-oxide is sourced from PubChem (CID 118003298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).