[1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene

C39H30O2P2 — CID 134976655

IUPAC[1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene
SMILESO=P(C(=C=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H30O2P2/c40-42(34-23-11-3-12-24-34,35-25-13-4-14-26-35)38(32-19-7-1-8-20-32)31-39(33-21-9-2-10-22-33)43(41,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H
InChIKeyUXNUYSKMEIWSKU-UHFFFAOYSA-N
MW592.62 g/mol
LogP8.70
Rot. Bonds8

About [1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene

[1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene (PubChem CID 134976655) has the molecular formula C39H30O2P2 and a molecular weight of 592.62 g/mol. Its IUPAC name is [1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene.

Molecular Properties

Compound Name[1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene
PubChem CID134976655
Molecular FormulaC39H30O2P2
Molecular Weight592.62 g/mol
Exact Mass592.17
IUPAC Name[1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene
SMILESO=P(C(=C=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H30O2P2/c40-42(34-23-11-3-12-24-34,35-25-13-4-14-26-35)38(32-19-7-1-8-20-32)31-39(33-21-9-2-10-22-33)43(41,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H
InChIKeyUXNUYSKMEIWSKU-UHFFFAOYSA-N
XLogP8.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.62
LogP ≤ 58.70
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

Benzyltriphenylphosphonium chloride
CID 70671
(p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride
CID 168940
Triphenyl(phenylethynyl)phosphonium
CID 3492871
Diphenyl(phenylmethyl)phosphine oxide
CID 76293
Benzhydryltriphenylphosphonium bromide
CID 522488
Benzyltriphenylphosphonium bromide
CID 2734970
Phosphonium, triphenyl(triphenylmethyl)-, chloride
CID 85420
Phosphine oxide, tribenzyl-
CID 99393
1,1,2,2-Tetraphenyldiphosphane 1,2-dioxide
CID 253998
Tris(4-methylphenyl)phosphine oxide
CID 120383
Phosphine oxide, [1,1'-binaphthalene]-2,2'-diylbis
CID 10985169
Ethane-1,2-diylbis(diphenylphosphine oxide)
CID 259102

Frequently Asked Questions

What is the IUPAC name of [1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene?
The IUPAC name of [1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene (CID 134976655) is [1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene.
What is the SMILES notation for [1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene?
The canonical SMILES for [1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene is O=P(C(=C=C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene?
The InChIKey is UXNUYSKMEIWSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30O2P2/c40-42(34-23-11-3-12-24-34,35-25-13-4-14-26-35)38(32-19-7-1-8-20-32)31-39(33-21-9-2-10-22-33)43(41,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H.
What are the key properties of [1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene?
[1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene has a molecular weight of 592.62 g/mol, XLogP of 8.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-bis(diphenylphosphoryl)-3-phenylpropa-1,2-dienyl]benzene is sourced from PubChem (CID 134976655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).