[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane

C20H23P — CID 156713969

IUPAC[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane
SMILESC=C/C=C\C(=C/C)P(/C(C=C)=C/C=C\C)c1ccccc1
InChIInChI=1S/C20H23P/c1-5-9-14-18(7-3)21(19(8-4)15-10-6-2)20-16-12-11-13-17-20/h5-17H,1,4H2,2-3H3/b10-6-,14-9-,18-7+,19-15+
InChIKeyVIANMGVXIJOESW-LLIWYSQSSA-N
MW294.38 g/mol
LogP6.09
Rot. Bonds7

About [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane

[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane (PubChem CID 156713969) has the molecular formula C20H23P and a molecular weight of 294.38 g/mol. Its IUPAC name is [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane.

Molecular Properties

Compound Name[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane
PubChem CID156713969
Molecular FormulaC20H23P
Molecular Weight294.38 g/mol
Exact Mass294.15
IUPAC Name[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane
SMILESC=C/C=C\C(=C/C)P(/C(C=C)=C/C=C\C)c1ccccc1
InChIInChI=1S/C20H23P/c1-5-9-14-18(7-3)21(19(8-4)15-10-6-2)20-16-12-11-13-17-20/h5-17H,1,4H2,2-3H3/b10-6-,14-9-,18-7+,19-15+
InChIKeyVIANMGVXIJOESW-LLIWYSQSSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.38
LogP ≤ 56.09
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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Related Compounds

ethane;[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3,5-trien-3-yl]-phenylphosphane;iodomethane
CID 142091392
[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]phosphanyl]benzene
CID 130280362
[[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phosphanyl]amino]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]phosphanyl]benzene
CID 130280885
methyl-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]-phenylphosphane
CID 143802887
N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
CID 59889814
[(2E,4Z)-hexa-2,4-dien-3-yl]-methyl-phenylphosphane
CID 142398112
ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene
CID 143808734
(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
CID 143762679
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]aniline
CID 163504442
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene
CID 145055361
penta-1,3-diene;styrene
CID 161284559

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane?
The IUPAC name of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane (CID 156713969) is [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane.
What is the SMILES notation for [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane?
The canonical SMILES for [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane is C=C/C=C\C(=C/C)P(/C(C=C)=C/C=C\C)c1ccccc1.
What is the InChIKey of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane?
The InChIKey is VIANMGVXIJOESW-LLIWYSQSSA-N. The full InChI is InChI=1S/C20H23P/c1-5-9-14-18(7-3)21(19(8-4)15-10-6-2)20-16-12-11-13-17-20/h5-17H,1,4H2,2-3H3/b10-6-,14-9-,18-7+,19-15+.
What are the key properties of [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane?
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane has a molecular weight of 294.38 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-hepta-2,4,6-trien-3-yl]-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-phenylphosphane is sourced from PubChem (CID 156713969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).