2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol

C33H27N3O2 — CID 176730887

IUPAC2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol
SMILESOC(/C(=N\c1cccnc1/N=C(\c1ccccc1)C(O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H27N3O2/c37-31(26-18-9-3-10-19-26)29(24-14-5-1-6-15-24)35-28-22-13-23-34-33(28)36-30(25-16-7-2-8-17-25)32(38)27-20-11-4-12-21-27/h1-23,31-32,37-38H/b35-29-,36-30+
InChIKeyUBQCSAJWTPRVAA-CRHVBUSDSA-N
MW497.60 g/mol
LogP6.79
Rot. Bonds8

About 2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol

2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol (PubChem CID 176730887) has the molecular formula C33H27N3O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol.

Molecular Properties

Compound Name2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol
PubChem CID176730887
Molecular FormulaC33H27N3O2
Molecular Weight497.60 g/mol
Exact Mass497.21
IUPAC Name2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol
SMILESOC(/C(=N\c1cccnc1/N=C(\c1ccccc1)C(O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H27N3O2/c37-31(26-18-9-3-10-19-26)29(24-14-5-1-6-15-24)35-28-22-13-23-34-33(28)36-30(25-16-7-2-8-17-25)32(38)27-20-11-4-12-21-27/h1-23,31-32,37-38H/b35-29-,36-30+
InChIKeyUBQCSAJWTPRVAA-CRHVBUSDSA-N
XLogP6.79
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol?
The IUPAC name of 2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol (CID 176730887) is 2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol.
What is the SMILES notation for 2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol?
The canonical SMILES for 2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol is OC(/C(=N\c1cccnc1/N=C(\c1ccccc1)C(O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol?
The InChIKey is UBQCSAJWTPRVAA-CRHVBUSDSA-N. The full InChI is InChI=1S/C33H27N3O2/c37-31(26-18-9-3-10-19-26)29(24-14-5-1-6-15-24)35-28-22-13-23-34-33(28)36-30(25-16-7-2-8-17-25)32(38)27-20-11-4-12-21-27/h1-23,31-32,37-38H/b35-29-,36-30+.
What are the key properties of 2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol?
2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol has a molecular weight of 497.60 g/mol, XLogP of 6.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]-3-pyridinyl]imino]-1,2-diphenylethanol is sourced from PubChem (CID 176730887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).