2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile

C25H18N2O2 — CID 137095660

IUPAC2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
SMILESCc1ccc(O)c(C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C25H18N2O2/c1-17-12-13-22(28)20(14-17)16-27-25-21(15-26)23(18-8-4-2-5-9-18)24(29-25)19-10-6-3-7-11-19/h2-14,16,28H,1H3
InChIKeyHVKAIQMJWBHRDD-UHFFFAOYSA-N
MW378.43 g/mol
LogP6.25
Rot. Bonds4

About 2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile

2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile (PubChem CID 137095660) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
PubChem CID137095660
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
SMILESCc1ccc(O)c(C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C25H18N2O2/c1-17-12-13-22(28)20(14-17)16-27-25-21(15-26)23(18-8-4-2-5-9-18)24(29-25)19-10-6-3-7-11-19/h2-14,16,28H,1H3
InChIKeyHVKAIQMJWBHRDD-UHFFFAOYSA-N
XLogP6.25
TPSA69.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile?
The IUPAC name of 2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile (CID 137095660) is 2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile?
The canonical SMILES for 2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile is Cc1ccc(O)c(C=Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1.
What is the InChIKey of 2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile?
The InChIKey is HVKAIQMJWBHRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-17-12-13-22(28)20(14-17)16-27-25-21(15-26)23(18-8-4-2-5-9-18)24(29-25)19-10-6-3-7-11-19/h2-14,16,28H,1H3.
What are the key properties of 2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile?
2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile has a molecular weight of 378.43 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methylphenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile is sourced from PubChem (CID 137095660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).