(3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol

C27H26O2 — CID 170959833

IUPAC(3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol
SMILESC=C/C=C(\C=C/C)C(O)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26O2/c1-3-14-22(15-4-2)26(28,23-16-8-5-9-17-23)27(29,24-18-10-6-11-19-24)25-20-12-7-13-21-25/h3-21,28-29H,1H2,2H3/b15-4-,22-14+
InChIKeyZURCGXJHJZJCJH-ZUJCFALVSA-N
MW382.50 g/mol
LogP5.50
Rot. Bonds7

About (3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol

(3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol (PubChem CID 170959833) has the molecular formula C27H26O2 and a molecular weight of 382.50 g/mol. Its IUPAC name is (3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name(3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol
PubChem CID170959833
Molecular FormulaC27H26O2
Molecular Weight382.50 g/mol
Exact Mass382.19
IUPAC Name(3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol
SMILESC=C/C=C(\C=C/C)C(O)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26O2/c1-3-14-22(15-4-2)26(28,23-16-8-5-9-17-23)27(29,24-18-10-6-11-19-24)25-20-12-7-13-21-25/h3-21,28-29H,1H2,2H3/b15-4-,22-14+
InChIKeyZURCGXJHJZJCJH-ZUJCFALVSA-N
XLogP5.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol 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 (3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol?
The IUPAC name of (3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol (CID 170959833) is (3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol.
What is the SMILES notation for (3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol?
The canonical SMILES for (3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol is C=C/C=C(\C=C/C)C(O)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol?
The InChIKey is ZURCGXJHJZJCJH-ZUJCFALVSA-N. The full InChI is InChI=1S/C27H26O2/c1-3-14-22(15-4-2)26(28,23-16-8-5-9-17-23)27(29,24-18-10-6-11-19-24)25-20-12-7-13-21-25/h3-21,28-29H,1H2,2H3/b15-4-,22-14+.
What are the key properties of (3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol?
(3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol has a molecular weight of 382.50 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1,2-triphenyl-3-[(Z)-prop-1-enyl]hexa-3,5-diene-1,2-diol is sourced from PubChem (CID 170959833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).