[[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene

C21H23OP — CID 146210957

IUPAC[[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene
SMILESC/C=C\C(=C/C=C\CC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23OP/c1-3-5-8-14-19(13-4-2)23(22,20-15-9-6-10-16-20)21-17-11-7-12-18-21/h4-18H,3H2,1-2H3/b8-5-,13-4-,19-14+
InChIKeyKJXLOBGCPAAVQA-YDJHQQLTSA-N
MW322.39 g/mol
LogP5.43
Rot. Bonds6

About [[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene

[[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene (PubChem CID 146210957) has the molecular formula C21H23OP and a molecular weight of 322.39 g/mol. Its IUPAC name is [[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene
PubChem CID146210957
Molecular FormulaC21H23OP
Molecular Weight322.39 g/mol
Exact Mass322.15
IUPAC Name[[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene
SMILESC/C=C\C(=C/C=C\CC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23OP/c1-3-5-8-14-19(13-4-2)23(22,20-15-9-6-10-16-20)21-17-11-7-12-18-21/h4-18H,3H2,1-2H3/b8-5-,13-4-,19-14+
InChIKeyKJXLOBGCPAAVQA-YDJHQQLTSA-N
XLogP5.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene?
The IUPAC name of [[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene (CID 146210957) is [[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene.
What is the SMILES notation for [[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene?
The canonical SMILES for [[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene is C/C=C\C(=C/C=C\CC)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene?
The InChIKey is KJXLOBGCPAAVQA-YDJHQQLTSA-N. The full InChI is InChI=1S/C21H23OP/c1-3-5-8-14-19(13-4-2)23(22,20-15-9-6-10-16-20)21-17-11-7-12-18-21/h4-18H,3H2,1-2H3/b8-5-,13-4-,19-14+.
What are the key properties of [[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene?
[[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene has a molecular weight of 322.39 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-phenylphosphoryl]benzene is sourced from PubChem (CID 146210957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).