[ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene

C25H31O6P3S — CID 23280723

IUPAC[ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene
SMILESCCOP(=O)(SC(P(=O)(OCC)c1ccccc1)P(=O)(OCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31O6P3S/c1-4-29-32(26,22-16-10-7-11-17-22)25(33(27,30-5-2)23-18-12-8-13-19-23)35-34(28,31-6-3)24-20-14-9-15-21-24/h7-21,25H,4-6H2,1-3H3
InChIKeyLRJOYVITUPDDJR-UHFFFAOYSA-N
MW552.51 g/mol
LogP6.84
Rot. Bonds13

About [ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene

[ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene (PubChem CID 23280723) has the molecular formula C25H31O6P3S and a molecular weight of 552.51 g/mol. Its IUPAC name is [ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene.

Molecular Properties

Compound Name[ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene
PubChem CID23280723
Molecular FormulaC25H31O6P3S
Molecular Weight552.51 g/mol
Exact Mass552.11
IUPAC Name[ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene
SMILESCCOP(=O)(SC(P(=O)(OCC)c1ccccc1)P(=O)(OCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H31O6P3S/c1-4-29-32(26,22-16-10-7-11-17-22)25(33(27,30-5-2)23-18-12-8-13-19-23)35-34(28,31-6-3)24-20-14-9-15-21-24/h7-21,25H,4-6H2,1-3H3
InChIKeyLRJOYVITUPDDJR-UHFFFAOYSA-N
XLogP6.84
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.51
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
CID 10449767
2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol
CID 46220815
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one
CID 11861697
[[azido(diethoxyphosphoryl)methyl]-ethoxyphosphoryl]benzene
CID 21015356
(R)-[ethoxy(phenyl)phosphoryl]-(4-fluorophenyl)methanol
CID 11860165
1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene
CID 12651419
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
1-[ethoxy(phenyl)phosphoryl]-3-methyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 101246297
N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
CID 11784176

Frequently Asked Questions

What is the IUPAC name of [ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene?
The IUPAC name of [ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene (CID 23280723) is [ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene.
What is the SMILES notation for [ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene?
The canonical SMILES for [ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene is CCOP(=O)(SC(P(=O)(OCC)c1ccccc1)P(=O)(OCC)c1ccccc1)c1ccccc1.
What is the InChIKey of [ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene?
The InChIKey is LRJOYVITUPDDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31O6P3S/c1-4-29-32(26,22-16-10-7-11-17-22)25(33(27,30-5-2)23-18-12-8-13-19-23)35-34(28,31-6-3)24-20-14-9-15-21-24/h7-21,25H,4-6H2,1-3H3.
What are the key properties of [ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene?
[ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene has a molecular weight of 552.51 g/mol, XLogP of 6.84, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene is sourced from PubChem (CID 23280723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).