[4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane

C19H20P2 — CID 138565562

IUPAC[4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane
SMILESC=C/C(=C\C=C(/C)c1ccc(P)cc1)c1ccc(P)cc1
InChIInChI=1S/C19H20P2/c1-3-15(17-8-12-19(21)13-9-17)5-4-14(2)16-6-10-18(20)11-7-16/h3-13H,1,20-21H2,2H3/b14-4+,15-5+
InChIKeySAVFGFXNQPWHDZ-VHUAAIQRSA-N
MW310.32 g/mol
LogP4.36
Rot. Bonds4

About [4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane

[4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane (PubChem CID 138565562) has the molecular formula C19H20P2 and a molecular weight of 310.32 g/mol. Its IUPAC name is [4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane.

Molecular Properties

Compound Name[4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane
PubChem CID138565562
Molecular FormulaC19H20P2
Molecular Weight310.32 g/mol
Exact Mass310.10
IUPAC Name[4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane
SMILESC=C/C(=C\C=C(/C)c1ccc(P)cc1)c1ccc(P)cc1
InChIInChI=1S/C19H20P2/c1-3-15(17-8-12-19(21)13-9-17)5-4-14(2)16-6-10-18(20)11-7-16/h3-13H,1,20-21H2,2H3/b14-4+,15-5+
InChIKeySAVFGFXNQPWHDZ-VHUAAIQRSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.36
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

1-[(1E,3E)-1-ethenyl-4-[4-(trifluoromethyl)phenyl]penta-1,3-dienyl]-4-(trifluoromethyl)benzene
CID 145152074
1-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]azulene
CID 174116925
(2E,4E)-2-ethenyl-5-(4-hydroxyphenyl)hexa-2,4-dienal
CID 167167360
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142152757
4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline
CID 156519406
2-(4-buta-1,3-dien-2-ylphenyl)-4-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]phenyl]-6-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-1,3,5-triazine
CID 139475333
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]benzaldehyde
CID 142005838
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene
CID 58174508
1,2-dimethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]benzene;ethane
CID 177145021
1-[(3E)-hexa-1,3,5-trien-3-yl]-4-(trifluoromethyl)benzene
CID 59194469

Frequently Asked Questions

What is the IUPAC name of [4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane?
The IUPAC name of [4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane (CID 138565562) is [4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane.
What is the SMILES notation for [4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane?
The canonical SMILES for [4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane is C=C/C(=C\C=C(/C)c1ccc(P)cc1)c1ccc(P)cc1.
What is the InChIKey of [4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane?
The InChIKey is SAVFGFXNQPWHDZ-VHUAAIQRSA-N. The full InChI is InChI=1S/C19H20P2/c1-3-15(17-8-12-19(21)13-9-17)5-4-14(2)16-6-10-18(20)11-7-16/h3-13H,1,20-21H2,2H3/b14-4+,15-5+.
What are the key properties of [4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane?
[4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane has a molecular weight of 310.32 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane is sourced from PubChem (CID 138565562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).