1,2-diphenylethenyl(hexyl)phosphane

C20H25P — CID 70146049

IUPAC1,2-diphenylethenyl(hexyl)phosphane
SMILESCCCCCCPC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25P/c1-2-3-4-11-16-21-20(19-14-9-6-10-15-19)17-18-12-7-5-8-13-18/h5-10,12-15,17,21H,2-4,11,16H2,1H3
InChIKeyZVIBTRFXJHAPJI-UHFFFAOYSA-N
MW296.39 g/mol
LogP6.44
Rot. Bonds8

About 1,2-diphenylethenyl(hexyl)phosphane

1,2-diphenylethenyl(hexyl)phosphane (PubChem CID 70146049) has the molecular formula C20H25P and a molecular weight of 296.39 g/mol. Its IUPAC name is 1,2-diphenylethenyl(hexyl)phosphane.

Molecular Properties

Compound Name1,2-diphenylethenyl(hexyl)phosphane
PubChem CID70146049
Molecular FormulaC20H25P
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name1,2-diphenylethenyl(hexyl)phosphane
SMILESCCCCCCPC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25P/c1-2-3-4-11-16-21-20(19-14-9-6-10-15-19)17-18-12-7-5-8-13-18/h5-10,12-15,17,21H,2-4,11,16H2,1H3
InChIKeyZVIBTRFXJHAPJI-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.39
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-chlorooct-1-enyl]benzene
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CID 177441824
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
(1-dodecylsulfanyl-2-phenylethenyl)benzene
CID 72811867
(Z)-1-(butylamino)-2-phenylethenol
CID 134892949
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098
1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
CID 44521359
1-chloro-2-[(Z)-1-phenyloct-1-en-2-yl]benzene
CID 101104759
N-[(E)-1,2-diphenylethenyl]butan-1-amine
CID 143156717
2-(chloromethyl)oct-1-enylbenzene
CID 69226716
heptane;N-methylmethanamine;(E)-2-methyl-3-phenylprop-2-enal
CID 142518237
hexan-1-ol;2-(1-phenylbut-1-en-2-yloxy)but-1-enylbenzene
CID 175128455

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethenyl(hexyl)phosphane?
The IUPAC name of 1,2-diphenylethenyl(hexyl)phosphane (CID 70146049) is 1,2-diphenylethenyl(hexyl)phosphane.
What is the SMILES notation for 1,2-diphenylethenyl(hexyl)phosphane?
The canonical SMILES for 1,2-diphenylethenyl(hexyl)phosphane is CCCCCCPC(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylethenyl(hexyl)phosphane?
The InChIKey is ZVIBTRFXJHAPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25P/c1-2-3-4-11-16-21-20(19-14-9-6-10-15-19)17-18-12-7-5-8-13-18/h5-10,12-15,17,21H,2-4,11,16H2,1H3.
What are the key properties of 1,2-diphenylethenyl(hexyl)phosphane?
1,2-diphenylethenyl(hexyl)phosphane has a molecular weight of 296.39 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethenyl(hexyl)phosphane is sourced from PubChem (CID 70146049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).