(4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane

C20H19P — CID 90252727

IUPAC(4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane
SMILESC=C/C=C(\C=C)P(c1ccccc1)c1ccc(C=C)cc1
InChIInChI=1S/C20H19P/c1-4-10-18(6-3)21(19-11-8-7-9-12-19)20-15-13-17(5-2)14-16-20/h4-16H,1-3H2/b18-10+
InChIKeyJAULVAIQAVGBFV-VCHYOVAHSA-N
MW290.35 g/mol
LogP5.02
Rot. Bonds6

About (4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane

(4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane (PubChem CID 90252727) has the molecular formula C20H19P and a molecular weight of 290.35 g/mol. Its IUPAC name is (4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane.

Molecular Properties

Compound Name(4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane
PubChem CID90252727
Molecular FormulaC20H19P
Molecular Weight290.35 g/mol
Exact Mass290.12
IUPAC Name(4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane
SMILESC=C/C=C(\C=C)P(c1ccccc1)c1ccc(C=C)cc1
InChIInChI=1S/C20H19P/c1-4-10-18(6-3)21(19-11-8-7-9-12-19)20-15-13-17(5-2)14-16-20/h4-16H,1-3H2/b18-10+
InChIKeyJAULVAIQAVGBFV-VCHYOVAHSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.35
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane?
The IUPAC name of (4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane (CID 90252727) is (4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane.
What is the SMILES notation for (4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane?
The canonical SMILES for (4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane is C=C/C=C(\C=C)P(c1ccccc1)c1ccc(C=C)cc1.
What is the InChIKey of (4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane?
The InChIKey is JAULVAIQAVGBFV-VCHYOVAHSA-N. The full InChI is InChI=1S/C20H19P/c1-4-10-18(6-3)21(19-11-8-7-9-12-19)20-15-13-17(5-2)14-16-20/h4-16H,1-3H2/b18-10+.
What are the key properties of (4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane?
(4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane has a molecular weight of 290.35 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane is sourced from PubChem (CID 90252727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).