(2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran

C29H23O2P — CID 95240121

IUPAC(2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran
SMILESO=P(c1ccccc1)(c1ccccc1)[C@H]1C=C(c2ccccc2)C=C(c2ccccc2)O1
InChIInChI=1S/C29H23O2P/c30-32(26-17-9-3-10-18-26,27-19-11-4-12-20-27)29-22-25(23-13-5-1-6-14-23)21-28(31-29)24-15-7-2-8-16-24/h1-22,29H/t29-/m0/s1
InChIKeyGSUFBNUYXHVDIK-LJAQVGFWSA-N
MW434.48 g/mol
LogP6.48
Rot. Bonds5

About (2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran

(2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran (PubChem CID 95240121) has the molecular formula C29H23O2P and a molecular weight of 434.48 g/mol. Its IUPAC name is (2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran.

Molecular Properties

Compound Name(2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran
PubChem CID95240121
Molecular FormulaC29H23O2P
Molecular Weight434.48 g/mol
Exact Mass434.14
IUPAC Name(2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran
SMILESO=P(c1ccccc1)(c1ccccc1)[C@H]1C=C(c2ccccc2)C=C(c2ccccc2)O1
InChIInChI=1S/C29H23O2P/c30-32(26-17-9-3-10-18-26,27-19-11-4-12-20-27)29-22-25(23-13-5-1-6-14-23)21-28(31-29)24-15-7-2-8-16-24/h1-22,29H/t29-/m0/s1
InChIKeyGSUFBNUYXHVDIK-LJAQVGFWSA-N
XLogP6.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.48
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-triphenyl-2H-pyran tetrafluoroborate
CID 161055583
4-(2,6-diphenyl-2H-pyran-4-yl)pyridine
CID 175173815
4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene
CID 2751650
6-(4-methoxyphenyl)-2,4-diphenyl-2H-pyran
CID 57376774
2-diphenylphosphoryl-3-phenyl-2H-azirine
CID 86208256
(2R)-2,6-diphenyl-1,3-dioxin-4-one
CID 806114
(1R)-1,3-diphenyl-1H-isochromene
CID 134958750
1-ethenyl-3-phenyl-1H-isochromene
CID 15488576
(1R,2S,6S,7R,8S,9S)-8,9-bis(diphenylphosphoryl)-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 98107598
(1S,2S,6S,7S,8R,9S)-8,9-bis(diphenylphosphoryl)-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
CID 98043580
1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene
CID 14298647
2-diphenylphosphorylpyrrolidine
CID 11097633

Frequently Asked Questions

What is the IUPAC name of (2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran?
The IUPAC name of (2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran (CID 95240121) is (2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran.
What is the SMILES notation for (2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran?
The canonical SMILES for (2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran is O=P(c1ccccc1)(c1ccccc1)[C@H]1C=C(c2ccccc2)C=C(c2ccccc2)O1.
What is the InChIKey of (2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran?
The InChIKey is GSUFBNUYXHVDIK-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H23O2P/c30-32(26-17-9-3-10-18-26,27-19-11-4-12-20-27)29-22-25(23-13-5-1-6-14-23)21-28(31-29)24-15-7-2-8-16-24/h1-22,29H/t29-/m0/s1.
What are the key properties of (2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran?
(2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran has a molecular weight of 434.48 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-diphenylphosphoryl-4,6-diphenyl-2H-pyran is sourced from PubChem (CID 95240121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).