3-(phenyliminomethyl)phenanthren-4-ol

C21H15NO — CID 136826594

IUPAC3-(phenyliminomethyl)phenanthren-4-ol
SMILESOc1c(/C=N/c2ccccc2)ccc2ccc3ccccc3c12
InChIInChI=1S/C21H15NO/c23-21-17(14-22-18-7-2-1-3-8-18)13-12-16-11-10-15-6-4-5-9-19(15)20(16)21/h1-14,23H/b22-14+
InChIKeyOWBHXTCDJJUXKG-HYARGMPZSA-N
MW297.36 g/mol
LogP5.45
Rot. Bonds2

About 3-(phenyliminomethyl)phenanthren-4-ol

3-(phenyliminomethyl)phenanthren-4-ol (PubChem CID 136826594) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(phenyliminomethyl)phenanthren-4-ol.

Molecular Properties

Compound Name3-(phenyliminomethyl)phenanthren-4-ol
PubChem CID136826594
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name3-(phenyliminomethyl)phenanthren-4-ol
SMILESOc1c(/C=N/c2ccccc2)ccc2ccc3ccccc3c12
InChIInChI=1S/C21H15NO/c23-21-17(14-22-18-7-2-1-3-8-18)13-12-16-11-10-15-6-4-5-9-19(15)20(16)21/h1-14,23H/b22-14+
InChIKeyOWBHXTCDJJUXKG-HYARGMPZSA-N
XLogP5.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(phenyliminomethyl)phenanthren-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylphenyl)iminomethyl]naphthalen-1-ol
CID 135953527
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
2-[(4-nitrophenyl)iminomethyl]naphthalen-1-ol
CID 135885630
2-[(4-bromo-3-chlorophenyl)iminomethyl]naphthalen-1-ol
CID 135953557
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331
9-methylidene-3-(phenyliminomethyl)fluoren-4-ol
CID 136598683
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]naphthalen-1-ol
CID 4532078
4-(pyren-1-ylmethylideneamino)benzoic acid
CID 102429268
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
N-oxido-N-[8-(phenyliminomethyl)naphthalen-1-yl]hydroxylamine
CID 163132499
carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
CID 135967304

Frequently Asked Questions

What is the IUPAC name of 3-(phenyliminomethyl)phenanthren-4-ol?
The IUPAC name of 3-(phenyliminomethyl)phenanthren-4-ol (CID 136826594) is 3-(phenyliminomethyl)phenanthren-4-ol.
What is the SMILES notation for 3-(phenyliminomethyl)phenanthren-4-ol?
The canonical SMILES for 3-(phenyliminomethyl)phenanthren-4-ol is Oc1c(/C=N/c2ccccc2)ccc2ccc3ccccc3c12.
What is the InChIKey of 3-(phenyliminomethyl)phenanthren-4-ol?
The InChIKey is OWBHXTCDJJUXKG-HYARGMPZSA-N. The full InChI is InChI=1S/C21H15NO/c23-21-17(14-22-18-7-2-1-3-8-18)13-12-16-11-10-15-6-4-5-9-19(15)20(16)21/h1-14,23H/b22-14+.
What are the key properties of 3-(phenyliminomethyl)phenanthren-4-ol?
3-(phenyliminomethyl)phenanthren-4-ol has a molecular weight of 297.36 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenyliminomethyl)phenanthren-4-ol is sourced from PubChem (CID 136826594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).