diphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane

C34H32NO3P3 — CID 101412405

IUPACdiphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane
SMILESO=P(N=P(c1ccccc1)(c1ccccc1)C1CCCP1c1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C34H32NO3P3/c36-41(37-29-17-6-1-7-18-29,38-30-19-8-2-9-20-30)35-40(32-23-12-4-13-24-32,33-25-14-5-15-26-33)34-27-16-28-39(34)31-21-10-3-11-22-31/h1-15,17-26,34H,16,27-28H2
InChIKeyFNPWFXHKWYCEFV-UHFFFAOYSA-N
MW595.56 g/mol
LogP9.03
Rot. Bonds9

About diphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane

diphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane (PubChem CID 101412405) has the molecular formula C34H32NO3P3 and a molecular weight of 595.56 g/mol. Its IUPAC name is diphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane.

Molecular Properties

Compound Namediphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane
PubChem CID101412405
Molecular FormulaC34H32NO3P3
Molecular Weight595.56 g/mol
Exact Mass595.16
IUPAC Namediphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane
SMILESO=P(N=P(c1ccccc1)(c1ccccc1)C1CCCP1c1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C34H32NO3P3/c36-41(37-29-17-6-1-7-18-29,38-30-19-8-2-9-20-30)35-40(32-23-12-4-13-24-32,33-25-14-5-15-26-33)34-27-16-28-39(34)31-21-10-3-11-22-31/h1-15,17-26,34H,16,27-28H2
InChIKeyFNPWFXHKWYCEFV-UHFFFAOYSA-N
XLogP9.03
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.56
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphoryl-1-phenylphospholane
CID 101412404
[cyclohexyl(phenyl)phosphoryl]oxybenzene
CID 174639588
N-[bis(dimethylamino)-diphenoxyphosphorylimino-λ5-phosphanyl]-N-methylmethanamine
CID 12652581
sodium phenoxy(phenyl)phosphinate
CID 161254659
trimethyl-(1-phenylphospholan-2-yl)stannane
CID 177488803
[(1R,2S)-2-diphenoxyphosphoryloxycyclohexyl] diphenyl phosphate
CID 98141630
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592
1-cyclohexylethenyl diphenyl phosphate
CID 102084155
diphenoxyphosphorylsilane;phosphane
CID 174958468
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
diphenyl hydrogen phosphate;dihydrate
CID 21115845

Frequently Asked Questions

What is the IUPAC name of diphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane?
The IUPAC name of diphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane (CID 101412405) is diphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane.
What is the SMILES notation for diphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane?
The canonical SMILES for diphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane is O=P(N=P(c1ccccc1)(c1ccccc1)C1CCCP1c1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane?
The InChIKey is FNPWFXHKWYCEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32NO3P3/c36-41(37-29-17-6-1-7-18-29,38-30-19-8-2-9-20-30)35-40(32-23-12-4-13-24-32,33-25-14-5-15-26-33)34-27-16-28-39(34)31-21-10-3-11-22-31/h1-15,17-26,34H,16,27-28H2.
What are the key properties of diphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane?
diphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane has a molecular weight of 595.56 g/mol, XLogP of 9.03, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxyphosphorylimino-diphenyl-(1-phenylphospholan-2-yl)-λ5-phosphane is sourced from PubChem (CID 101412405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).