[2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane

C60H42N2P2 — CID 141480420

About [2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane

[2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane (PubChem CID 141480420) has the molecular formula C60H42N2P2 and a molecular weight of 852.96 g/mol. Its IUPAC name is [2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane.

Molecular Properties

• Compound Name: [2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane
• PubChem CID: 141480420
• Molecular Formula: C60H42N2P2
• Molecular Weight: 852.96 g/mol
• Exact Mass: 852.28
• IUPAC Name: [2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane
• SMILES: c1ccc(-c2cc(-c3ccccc3P(c3ccccc3)c3ccccc3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccccc4P(c4ccccc4)c4ccccc4)nc23)cc1
• InChI: InChI=1S/C60H42N2P2/c1-7-23-43(24-8-1)53-41-55(51-35-19-21-37-57(51)63(45-27-11-3-12-28-45)46-29-13-4-14-30-46)61-59-49(53)39-40-50-54(44-25-9-2-10-26-44)42-56(62-60(50)59)52-36-20-22-38-58(52)64(47-31-15-5-16-32-47)48-33-17-6-18-34-48/h1-42H
• InChIKey: CVUUWVXDSKDNJO-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.96
LogP ≤ 5	12.97
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_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane?

The IUPAC name of [2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane (CID 141480420) is [2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane.

What is the SMILES notation for [2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane?

The canonical SMILES for [2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane is c1ccc(-c2cc(-c3ccccc3P(c3ccccc3)c3ccccc3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccccc4P(c4ccccc4)c4ccccc4)nc23)cc1.

What is the InChIKey of [2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane?

The InChIKey is CVUUWVXDSKDNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2P2/c1-7-23-43(24-8-1)53-41-55(51-35-19-21-37-57(51)63(45-27-11-3-12-28-45)46-29-13-4-14-30-46)61-59-49(53)39-40-50-54(44-25-9-2-10-26-44)42-56(62-60(50)59)52-36-20-22-38-58(52)64(47-31-15-5-16-32-47)48-33-17-6-18-34-48/h1-42H.

What are the key properties of [2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane?

[2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane has a molecular weight of 852.96 g/mol, XLogP of 12.97, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 141480420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).