10-(4-diphenylphosphorylphenyl)-5H-phenazine

C30H23N2OP — CID 155777542

IUPAC10-(4-diphenylphosphorylphenyl)-5H-phenazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(N2c3ccccc3Nc3ccccc32)cc1
InChIInChI=1S/C30H23N2OP/c33-34(24-11-3-1-4-12-24,25-13-5-2-6-14-25)26-21-19-23(20-22-26)32-29-17-9-7-15-27(29)31-28-16-8-10-18-30(28)32/h1-22,31H
InChIKeyZIPIHGYFKLQMFD-UHFFFAOYSA-N
MW458.50 g/mol
LogP6.85
Rot. Bonds4

About 10-(4-diphenylphosphorylphenyl)-5H-phenazine

10-(4-diphenylphosphorylphenyl)-5H-phenazine (PubChem CID 155777542) has the molecular formula C30H23N2OP and a molecular weight of 458.50 g/mol. Its IUPAC name is 10-(4-diphenylphosphorylphenyl)-5H-phenazine.

Molecular Properties

Compound Name10-(4-diphenylphosphorylphenyl)-5H-phenazine
PubChem CID155777542
Molecular FormulaC30H23N2OP
Molecular Weight458.50 g/mol
Exact Mass458.15
IUPAC Name10-(4-diphenylphosphorylphenyl)-5H-phenazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(N2c3ccccc3Nc3ccccc32)cc1
InChIInChI=1S/C30H23N2OP/c33-34(24-11-3-1-4-12-24,25-13-5-2-6-14-25)26-21-19-23(20-22-26)32-29-17-9-7-15-27(29)31-28-16-8-10-18-30(28)32/h1-22,31H
InChIKeyZIPIHGYFKLQMFD-UHFFFAOYSA-N
XLogP6.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.50
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(4-diphenylphosphorylphenyl)-5H-phenazine?
The IUPAC name of 10-(4-diphenylphosphorylphenyl)-5H-phenazine (CID 155777542) is 10-(4-diphenylphosphorylphenyl)-5H-phenazine.
What is the SMILES notation for 10-(4-diphenylphosphorylphenyl)-5H-phenazine?
The canonical SMILES for 10-(4-diphenylphosphorylphenyl)-5H-phenazine is O=P(c1ccccc1)(c1ccccc1)c1ccc(N2c3ccccc3Nc3ccccc32)cc1.
What is the InChIKey of 10-(4-diphenylphosphorylphenyl)-5H-phenazine?
The InChIKey is ZIPIHGYFKLQMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N2OP/c33-34(24-11-3-1-4-12-24,25-13-5-2-6-14-25)26-21-19-23(20-22-26)32-29-17-9-7-15-27(29)31-28-16-8-10-18-30(28)32/h1-22,31H.
What are the key properties of 10-(4-diphenylphosphorylphenyl)-5H-phenazine?
10-(4-diphenylphosphorylphenyl)-5H-phenazine has a molecular weight of 458.50 g/mol, XLogP of 6.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-diphenylphosphorylphenyl)-5H-phenazine is sourced from PubChem (CID 155777542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).