1-(4-phenanthren-9-ylphenyl)ethanimine

C22H17N — CID 163584495

IUPAC1-(4-phenanthren-9-ylphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C22H17N/c1-15(23)16-10-12-17(13-11-16)22-14-18-6-2-3-7-19(18)20-8-4-5-9-21(20)22/h2-14,23H,1H3/b23-15+
InChIKeyGKJAOUCDKJSTOY-HZHRSRAPSA-N
MW295.39 g/mol
LogP6.05
Rot. Bonds2

About 1-(4-phenanthren-9-ylphenyl)ethanimine

1-(4-phenanthren-9-ylphenyl)ethanimine (PubChem CID 163584495) has the molecular formula C22H17N and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(4-phenanthren-9-ylphenyl)ethanimine.

Molecular Properties

Compound Name1-(4-phenanthren-9-ylphenyl)ethanimine
PubChem CID163584495
Molecular FormulaC22H17N
Molecular Weight295.39 g/mol
Exact Mass295.14
IUPAC Name1-(4-phenanthren-9-ylphenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(-c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C22H17N/c1-15(23)16-10-12-17(13-11-16)22-14-18-6-2-3-7-19(18)20-8-4-5-9-21(20)22/h2-14,23H,1H3/b23-15+
InChIKeyGKJAOUCDKJSTOY-HZHRSRAPSA-N
XLogP6.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.39
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-phenanthren-9-ylphenyl)ethanimine 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

9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
9-(4-iodophenyl)phenanthrene
CID 89083753
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
CID 129256978
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053
(3-bromophenyl)-(4-phenanthren-9-ylphenyl)methanone
CID 87092225
4-phenanthren-9-ylbenzonitrile
CID 89027020
[3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol
CID 88900775
9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene
CID 23386729

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenanthren-9-ylphenyl)ethanimine?
The IUPAC name of 1-(4-phenanthren-9-ylphenyl)ethanimine (CID 163584495) is 1-(4-phenanthren-9-ylphenyl)ethanimine.
What is the SMILES notation for 1-(4-phenanthren-9-ylphenyl)ethanimine?
The canonical SMILES for 1-(4-phenanthren-9-ylphenyl)ethanimine is [H]/N=C(\C)c1ccc(-c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of 1-(4-phenanthren-9-ylphenyl)ethanimine?
The InChIKey is GKJAOUCDKJSTOY-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H17N/c1-15(23)16-10-12-17(13-11-16)22-14-18-6-2-3-7-19(18)20-8-4-5-9-21(20)22/h2-14,23H,1H3/b23-15+.
What are the key properties of 1-(4-phenanthren-9-ylphenyl)ethanimine?
1-(4-phenanthren-9-ylphenyl)ethanimine has a molecular weight of 295.39 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenanthren-9-ylphenyl)ethanimine is sourced from PubChem (CID 163584495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).