[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene

C28H24O2P2 — CID 102152479

IUPAC[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene
SMILESO=P(/C=C/C=C/P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24O2P2/c29-31(25-15-5-1-6-16-25,26-17-7-2-8-18-26)23-13-14-24-32(30,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H/b23-13+,24-14+
InChIKeyOPUUAVBTYKRNFD-RNIAWFEPSA-N
MW454.45 g/mol
LogP6.04
Rot. Bonds7

About [[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene

[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene (PubChem CID 102152479) has the molecular formula C28H24O2P2 and a molecular weight of 454.45 g/mol. Its IUPAC name is [[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene
PubChem CID102152479
Molecular FormulaC28H24O2P2
Molecular Weight454.45 g/mol
Exact Mass454.13
IUPAC Name[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene
SMILESO=P(/C=C/C=C/P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24O2P2/c29-31(25-15-5-1-6-16-25,26-17-7-2-8-18-26)23-13-14-24-32(30,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H/b23-13+,24-14+
InChIKeyOPUUAVBTYKRNFD-RNIAWFEPSA-N
XLogP6.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.45
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[but-1-enyl(phenyl)phosphoryl]benzene
CID 177466990
[3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene
CID 71360809
(E)-2-diphenylphosphoryl-N,N-diethylethenamine
CID 13215077
2-(2-diphenylphosphorylethenyl)thiophene
CID 73098727
3-[(E)-2-diphenylphosphorylethenyl]benzaldehyde
CID 146161801
dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride
CID 139088086
(Z)-1-diphenylphosphoryl-3,3-dimethylbut-1-en-2-amine
CID 91998631
2,4-dichloro-1-[(E)-2-diphenylphosphorylethenyl]benzene
CID 162401523
diphenylphosphorylbenzene;terbium
CID 86595283
copper;bis([(diphenylphosphorylamino)-phenylphosphoryl]benzene)
CID 175947269
phenylphosphonamidic acid
CID 18388605
diphenylphosphorylformaldehyde;styrene
CID 160785647

Frequently Asked Questions

What is the IUPAC name of [[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene?
The IUPAC name of [[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene (CID 102152479) is [[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene.
What is the SMILES notation for [[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene?
The canonical SMILES for [[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene is O=P(/C=C/C=C/P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene?
The InChIKey is OPUUAVBTYKRNFD-RNIAWFEPSA-N. The full InChI is InChI=1S/C28H24O2P2/c29-31(25-15-5-1-6-16-25,26-17-7-2-8-18-26)23-13-14-24-32(30,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24H/b23-13+,24-14+.
What are the key properties of [[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene?
[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene has a molecular weight of 454.45 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene is sourced from PubChem (CID 102152479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).