5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol

C23H25N3O — CID 135401273

IUPAC5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol
SMILESCCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C23H25N3O/c1-3-25(4-2)22-16-15-19(23(27)17-22)18-24-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,27H,3-4H2,1-2H3/b24-18+
InChIKeyDFRVZIVYWKYYEV-HKOYGPOVSA-N
MW359.47 g/mol
LogP5.41
Rot. Bonds7

About 5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol

5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol (PubChem CID 135401273) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol
PubChem CID135401273
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol
SMILESCCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(O)c1
InChIInChI=1S/C23H25N3O/c1-3-25(4-2)22-16-15-19(23(27)17-22)18-24-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,27H,3-4H2,1-2H3/b24-18+
InChIKeyDFRVZIVYWKYYEV-HKOYGPOVSA-N
XLogP5.41
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol (CID 135401273) is 5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol is CCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol?
The InChIKey is DFRVZIVYWKYYEV-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-25(4-2)22-16-15-19(23(27)17-22)18-24-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,27H,3-4H2,1-2H3/b24-18+.
What are the key properties of 5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol?
5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol has a molecular weight of 359.47 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(E)-(diphenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135401273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).