2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol

C32H32N2O2 — CID 176730859

IUPAC2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol
SMILESOC(/C(=N\CCCC/N=C(\c1ccccc1)C(O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O2/c35-31(27-19-9-3-10-20-27)29(25-15-5-1-6-16-25)33-23-13-14-24-34-30(26-17-7-2-8-18-26)32(36)28-21-11-4-12-22-28/h1-12,15-22,31-32,35-36H,13-14,23-24H2/b33-29-,34-30+
InChIKeyDCENOECBNNNGSJ-HKQZHLORSA-N
MW476.62 g/mol
LogP6.21
Rot. Bonds11

About 2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol

2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol (PubChem CID 176730859) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol.

Molecular Properties

Compound Name2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol
PubChem CID176730859
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol
SMILESOC(/C(=N\CCCC/N=C(\c1ccccc1)C(O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O2/c35-31(27-19-9-3-10-20-27)29(25-15-5-1-6-16-25)33-23-13-14-24-34-30(26-17-7-2-8-18-26)32(36)28-21-11-4-12-22-28/h1-12,15-22,31-32,35-36H,13-14,23-24H2/b33-29-,34-30+
InChIKeyDCENOECBNNNGSJ-HKQZHLORSA-N
XLogP6.21
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol
CID 11056216
1-(alpha-Hydroxybenzyl)-3,4-dihydroisoquinoline
CID 129761855
1,3-Bis (2-hydroxy-1-naphthylideneamino)-2-propanol
CID 129846840
(1R)-3-benzylimino-1,3-diphenylpropan-1-ol
CID 134950461
(e)-1,3-Bis(2-hydroxy-1,2-diphenylethylidene)thiourea
CID 176730840
(2e,2'e)-2,2'-((2-Hydroxypropane-1,3-diyl)bis(azanylylidene))bis(1,2-diphenylethanol)
CID 176730860
(3Z)-3-[(Z)-(3-hydroxy-1,3,3-triphenylpropylidene)hydrazinylidene]-1,1,3-triphenylpropan-1-ol
CID 9562405
Benzene, 1,4-bis(2-hydroxy-2-phenylethyliminomethyl)-
CID 556328
(1S)-2-(benzhydrylideneamino)-1-phenylethanol
CID 101634851
Dichlorozirconium;bis(3-methylimino-1,1,3-triphenylpropan-1-ol)
CID 20870807
Dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol)
CID 20870809
1-(4-Tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]-2,3,4,5-tetrahydropyridin-6-yl]butan-1-ol
CID 21087483

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol?
The IUPAC name of 2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol (CID 176730859) is 2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol.
What is the SMILES notation for 2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol?
The canonical SMILES for 2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol is OC(/C(=N\CCCC/N=C(\c1ccccc1)C(O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol?
The InChIKey is DCENOECBNNNGSJ-HKQZHLORSA-N. The full InChI is InChI=1S/C32H32N2O2/c35-31(27-19-9-3-10-20-27)29(25-15-5-1-6-16-25)33-23-13-14-24-34-30(26-17-7-2-8-18-26)32(36)28-21-11-4-12-22-28/h1-12,15-22,31-32,35-36H,13-14,23-24H2/b33-29-,34-30+.
What are the key properties of 2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol?
2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol has a molecular weight of 476.62 g/mol, XLogP of 6.21, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxy-1,2-diphenylethylidene)amino]butylimino]-1,2-diphenylethanol is sourced from PubChem (CID 176730859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).