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

C30H28N2O2 — CID 101257287

IUPAC2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol
SMILESOC(/C(=N\CC/N=C(\c1ccccc1)C(O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O2/c33-29(25-17-9-3-10-18-25)27(23-13-5-1-6-14-23)31-21-22-32-28(24-15-7-2-8-16-24)30(34)26-19-11-4-12-20-26/h1-20,29-30,33-34H,21-22H2/b31-27-,32-28+
InChIKeyHYVJSJGEGFPFPT-GYNJYFOTSA-N
MW448.57 g/mol
LogP5.43
Rot. Bonds9

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

2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol (PubChem CID 101257287) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol
PubChem CID101257287
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC Name2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol
SMILESOC(/C(=N\CC/N=C(\c1ccccc1)C(O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O2/c33-29(25-17-9-3-10-18-25)27(23-13-5-1-6-14-23)31-21-22-32-28(24-15-7-2-8-16-24)30(34)26-19-11-4-12-20-26/h1-20,29-30,33-34H,21-22H2/b31-27-,32-28+
InChIKeyHYVJSJGEGFPFPT-GYNJYFOTSA-N
XLogP5.43
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.43
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

Cupron
CID 5354084
(+-)-Benzoin oxime
CID 9924
N,N'-Bis(2-hydroxy-alpha-phenylbenzylidene)ethylenediamine
CID 614122
(1Z)-2-Hydroxy-1,2-diphenylethanone oxime
CID 5359397
Ethanone, 2-hydroxy-1,2-diphenyl-, oxime, (1E,2R)-
CID 7290476
Ethanone, 2-hydroxy-1,2-diphenyl-, oxime, (1E,2S)-
CID 6338935
(1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol
CID 11056216
2-(Benzhydrylideneamino)oxy-1-phenylethanol
CID 101867600
2-(Benzhydrylideneamino)oxy-2-phenylethanol
CID 101867601
3,5,6-Triphenyl-6h-1,2-oxazin-6-ol
CID 129713469
1-(alpha-Hydroxybenzyl)-3,4-dihydroisoquinoline
CID 129761855
1,3-Bis (2-hydroxy-1-naphthylideneamino)-2-propanol
CID 129846840

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol?
The IUPAC name of 2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol (CID 101257287) is 2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol.
What is the SMILES notation for 2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol?
The canonical SMILES for 2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol is OC(/C(=N\CC/N=C(\c1ccccc1)C(O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol?
The InChIKey is HYVJSJGEGFPFPT-GYNJYFOTSA-N. The full InChI is InChI=1S/C30H28N2O2/c33-29(25-17-9-3-10-18-25)27(23-13-5-1-6-14-23)31-21-22-32-28(24-15-7-2-8-16-24)30(34)26-19-11-4-12-20-26/h1-20,29-30,33-34H,21-22H2/b31-27-,32-28+.
What are the key properties of 2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol?
2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol has a molecular weight of 448.57 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxy-1,2-diphenylethylidene)amino]ethylimino]-1,2-diphenylethanol is sourced from PubChem (CID 101257287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).