diphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane

C27H31O3P — CID 143617257

IUPACdiphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane
SMILESC/C=C\C=C(\OP(Oc1ccccc1)Oc1ccccc1)C(C)c1ccccc1.CC
InChIInChI=1S/C25H25O3P.C2H6/c1-3-4-20-25(21(2)22-14-8-5-9-15-22)28-29(26-23-16-10-6-11-17-23)27-24-18-12-7-13-19-24;1-2/h3-21H,1-2H3;1-2H3/b4-3-,25-20+;
InChIKeyPJQYJFGMVOKMFV-GOKHEYCYSA-N
MW434.52 g/mol
LogP8.68
Rot. Bonds9

About diphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane

diphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane (PubChem CID 143617257) has the molecular formula C27H31O3P and a molecular weight of 434.52 g/mol. Its IUPAC name is diphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane.

Molecular Properties

Compound Namediphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane
PubChem CID143617257
Molecular FormulaC27H31O3P
Molecular Weight434.52 g/mol
Exact Mass434.20
IUPAC Namediphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane
SMILESC/C=C\C=C(\OP(Oc1ccccc1)Oc1ccccc1)C(C)c1ccccc1.CC
InChIInChI=1S/C25H25O3P.C2H6/c1-3-4-20-25(21(2)22-14-8-5-9-15-22)28-29(26-23-16-10-6-11-17-23)27-24-18-12-7-13-19-24;1-2/h3-21H,1-2H3;1-2H3/b4-3-,25-20+;
InChIKeyPJQYJFGMVOKMFV-GOKHEYCYSA-N
XLogP8.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;[(4E,6Z)-4-ethylocta-4,6-dien-3-yl]benzene
CID 142101602
[(2E,4Z)-hexa-2,4-dien-2-yl]-methyl-diphenylphosphanium
CID 170234341
tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
ethane;methyl diphenyl phosphite
CID 161074644
4-methylocta-4,6-dien-3-ylbenzene
CID 123891099
ethane;[(3E)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 143204941
(2E,4Z)-2-methyl-N-[phenyl(phosphanyl)methyl]hexa-2,4-dien-1-amine;2-methylpropane
CID 176995490
acetylene;ethane;[[(2E,4Z)-hexa-2,4-dien-2-yl]-phenylphosphanyl]-phenylmethanol
CID 154692141
[(Z)-3-methylpent-3-en-2-yl]benzene;molecular hydrogen
CID 142935143
ethane;(2E,4Z)-hexa-2,4-diene-2-thiol;toluene
CID 142555461
[(2Z,4Z)-hexa-2,4-dienyl]-methyl-diphenylphosphanium
CID 154980147

Frequently Asked Questions

What is the IUPAC name of diphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane?
The IUPAC name of diphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane (CID 143617257) is diphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane.
What is the SMILES notation for diphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane?
The canonical SMILES for diphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane is C/C=C\C=C(\OP(Oc1ccccc1)Oc1ccccc1)C(C)c1ccccc1.CC.
What is the InChIKey of diphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane?
The InChIKey is PJQYJFGMVOKMFV-GOKHEYCYSA-N. The full InChI is InChI=1S/C25H25O3P.C2H6/c1-3-4-20-25(21(2)22-14-8-5-9-15-22)28-29(26-23-16-10-6-11-17-23)27-24-18-12-7-13-19-24;1-2/h3-21H,1-2H3;1-2H3/b4-3-,25-20+;.
What are the key properties of diphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane?
diphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane has a molecular weight of 434.52 g/mol, XLogP of 8.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl [(3E,5Z)-2-phenylhepta-3,5-dien-3-yl] phosphite;ethane is sourced from PubChem (CID 143617257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).