[4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol

C29H26N2O2 — CID 58612806

IUPAC[4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol
SMILESCOc1ccc(/C(=C/C=N/N(c2ccccc2)c2ccccc2)c2ccc(CO)cc2)cc1
InChIInChI=1S/C29H26N2O2/c1-33-28-18-16-25(17-19-28)29(24-14-12-23(22-32)13-15-24)20-21-30-31(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-21,32H,22H2,1H3/b29-20+,30-21+
InChIKeyRSDOHBKUVBHLNY-RZEGEWEPSA-N
MW434.54 g/mol
LogP6.44
Rot. Bonds8

About [4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol

[4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol (PubChem CID 58612806) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is [4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol
PubChem CID58612806
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name[4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol
SMILESCOc1ccc(/C(=C/C=N/N(c2ccccc2)c2ccccc2)c2ccc(CO)cc2)cc1
InChIInChI=1S/C29H26N2O2/c1-33-28-18-16-25(17-19-28)29(24-14-12-23(22-32)13-15-24)20-21-30-31(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-21,32H,22H2,1H3/b29-20+,30-21+
InChIKeyRSDOHBKUVBHLNY-RZEGEWEPSA-N
XLogP6.44
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol?
The IUPAC name of [4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol (CID 58612806) is [4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol.
What is the SMILES notation for [4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol?
The canonical SMILES for [4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol is COc1ccc(/C(=C/C=N/N(c2ccccc2)c2ccccc2)c2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol?
The InChIKey is RSDOHBKUVBHLNY-RZEGEWEPSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-33-28-18-16-25(17-19-28)29(24-14-12-23(22-32)13-15-24)20-21-30-31(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-21,32H,22H2,1H3/b29-20+,30-21+.
What are the key properties of [4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol?
[4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol has a molecular weight of 434.54 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol is sourced from PubChem (CID 58612806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).