(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane

C36H27NOP2 — CID 3255346

IUPAC(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2Oc2c(cccc2P(c2ccccc2)c2ccccc2)N3)cc1
InChIInChI=1S/C36H27NOP2/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37H
InChIKeyHSWZLYXRAOXOLL-UHFFFAOYSA-N
MW551.57 g/mol
LogP7.05
Rot. Bonds6

About (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane

(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane (PubChem CID 3255346) has the molecular formula C36H27NOP2 and a molecular weight of 551.57 g/mol. Its IUPAC name is (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane.

Molecular Properties

Compound Name(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane
PubChem CID3255346
Molecular FormulaC36H27NOP2
Molecular Weight551.57 g/mol
Exact Mass551.16
IUPAC Name(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3c2Oc2c(cccc2P(c2ccccc2)c2ccccc2)N3)cc1
InChIInChI=1S/C36H27NOP2/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37H
InChIKeyHSWZLYXRAOXOLL-UHFFFAOYSA-N
XLogP7.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.57
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane?
The IUPAC name of (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane (CID 3255346) is (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane.
What is the SMILES notation for (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane?
The canonical SMILES for (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2cccc3c2Oc2c(cccc2P(c2ccccc2)c2ccccc2)N3)cc1.
What is the InChIKey of (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane?
The InChIKey is HSWZLYXRAOXOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27NOP2/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37H.
What are the key properties of (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane?
(6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane has a molecular weight of 551.57 g/mol, XLogP of 7.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane is sourced from PubChem (CID 3255346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).