9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol

C25H18N2O2 — CID 155609964

IUPAC9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol
SMILESOc1ccccc1-c1cccc(/C=N/c2ccc3c4c(ccc(O)c24)CC=C3)n1
InChIInChI=1S/C25H18N2O2/c28-22-10-2-1-8-19(22)20-9-4-7-18(27-20)15-26-21-13-11-16-5-3-6-17-12-14-23(29)25(21)24(16)17/h1-5,7-15,28-29H,6H2/b26-15+
InChIKeyRACRFIHTQAEFME-CVKSISIWSA-N
MW378.43 g/mol
LogP5.63
Rot. Bonds3

About 9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol

9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol (PubChem CID 155609964) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol.

Molecular Properties

Compound Name9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol
PubChem CID155609964
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol
SMILESOc1ccccc1-c1cccc(/C=N/c2ccc3c4c(ccc(O)c24)CC=C3)n1
InChIInChI=1S/C25H18N2O2/c28-22-10-2-1-8-19(22)20-9-4-7-18(27-20)15-26-21-13-11-16-5-3-6-17-12-14-23(29)25(21)24(16)17/h1-5,7-15,28-29H,6H2/b26-15+
InChIKeyRACRFIHTQAEFME-CVKSISIWSA-N
XLogP5.63
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.63
H-Bond Donors ≤ 52
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 9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol?
The IUPAC name of 9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol (CID 155609964) is 9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol.
What is the SMILES notation for 9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol?
The canonical SMILES for 9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol is Oc1ccccc1-c1cccc(/C=N/c2ccc3c4c(ccc(O)c24)CC=C3)n1.
What is the InChIKey of 9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol?
The InChIKey is RACRFIHTQAEFME-CVKSISIWSA-N. The full InChI is InChI=1S/C25H18N2O2/c28-22-10-2-1-8-19(22)20-9-4-7-18(27-20)15-26-21-13-11-16-5-3-6-17-12-14-23(29)25(21)24(16)17/h1-5,7-15,28-29H,6H2/b26-15+.
What are the key properties of 9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol?
9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol has a molecular weight of 378.43 g/mol, XLogP of 5.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[6-(2-hydroxyphenyl)-2-pyridinyl]methylideneamino]-4H-phenalen-1-ol is sourced from PubChem (CID 155609964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).