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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).