4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide

C23H31NO5P2 — CID 12948202

IUPAC4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide
SMILESCCOP(=O)(OCC)C1C(=C(C)C)P(=O)(OC)NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO5P2/c1-6-28-31(26,29-7-2)22-21(18(3)4)30(25,27-5)24-23(22,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17,22H,6-7H2,1-5H3,(H,24,25)
InChIKeyTZUCZCZLLRLPPM-UHFFFAOYSA-N
MW463.45 g/mol
LogP6.30
Rot. Bonds8

About 4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide

4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide (PubChem CID 12948202) has the molecular formula C23H31NO5P2 and a molecular weight of 463.45 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide.

Molecular Properties

Compound Name4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide
PubChem CID12948202
Molecular FormulaC23H31NO5P2
Molecular Weight463.45 g/mol
Exact Mass463.17
IUPAC Name4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide
SMILESCCOP(=O)(OCC)C1C(=C(C)C)P(=O)(OC)NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO5P2/c1-6-28-31(26,29-7-2)22-21(18(3)4)30(25,27-5)24-23(22,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17,22H,6-7H2,1-5H3,(H,24,25)
InChIKeyTZUCZCZLLRLPPM-UHFFFAOYSA-N
XLogP6.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S,3S,5S)-5-diethoxyphosphoryl-2-phenylpyrrolidin-3-yl]ethanone
CID 139254814
2-diethoxyphosphoryl-5,5-diphenyl-2H-1,3,4-thiadiazole
CID 101401394
(4R)-3-diethoxyphosphoryl-4-methyl-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one
CID 102522932
(2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine
CID 11335470
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
N-[ethoxy(methoxy)phosphoryl]-1-phenyl-N-[[(2S)-2-phenyloxiran-2-yl]methyl]methanamine
CID 134951060
[diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium
CID 73055193
2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine
CID 102245838
3-diethoxyphosphoryloxy-3-(2,2-diphenylcyclopropyl)-2-methoxy-2-methylpropanoic acid
CID 11419838
2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline
CID 140968495
methyl (2S,3S,5R)-5-diethoxyphosphoryl-2-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylate
CID 132560803

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide?
The IUPAC name of 4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide (CID 12948202) is 4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide.
What is the SMILES notation for 4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide?
The canonical SMILES for 4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide is CCOP(=O)(OCC)C1C(=C(C)C)P(=O)(OC)NC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide?
The InChIKey is TZUCZCZLLRLPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5P2/c1-6-28-31(26,29-7-2)22-21(18(3)4)30(25,27-5)24-23(22,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17,22H,6-7H2,1-5H3,(H,24,25).
What are the key properties of 4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide?
4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide has a molecular weight of 463.45 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-2-methoxy-5,5-diphenyl-3-propan-2-ylidene-1,2λ5-azaphospholidine 2-oxide is sourced from PubChem (CID 12948202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).