(2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine

C35H25FN2 — CID 144671150

IUPAC(2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine
SMILES[H]/N=C(C(=C1\NC(c2ccccc2)=Cc2ccc(F)cc21)/c1cccc(-c2ccccc2)c1)\c1ccccc1
InChIInChI=1S/C35H25FN2/c36-30-20-19-28-22-32(25-13-6-2-7-14-25)38-35(31(28)23-30)33(34(37)26-15-8-3-9-16-26)29-18-10-17-27(21-29)24-11-4-1-5-12-24/h1-23,37-38H/b35-33-,37-34+
InChIKeyWNKFIOXZEHLUPO-UUXTXWQESA-N
MW492.60 g/mol
LogP8.53
Rot. Bonds5

About (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine

(2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine (PubChem CID 144671150) has the molecular formula C35H25FN2 and a molecular weight of 492.60 g/mol. Its IUPAC name is (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine.

Molecular Properties

Compound Name(2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine
PubChem CID144671150
Molecular FormulaC35H25FN2
Molecular Weight492.60 g/mol
Exact Mass492.20
IUPAC Name(2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine
SMILES[H]/N=C(C(=C1\NC(c2ccccc2)=Cc2ccc(F)cc21)/c1cccc(-c2ccccc2)c1)\c1ccccc1
InChIInChI=1S/C35H25FN2/c36-30-20-19-28-22-32(25-13-6-2-7-14-25)38-35(31(28)23-30)33(34(37)26-15-8-3-9-16-26)29-18-10-17-27(21-29)24-11-4-1-5-12-24/h1-23,37-38H/b35-33-,37-34+
InChIKeyWNKFIOXZEHLUPO-UUXTXWQESA-N
XLogP8.53
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 58.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine?
The IUPAC name of (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine (CID 144671150) is (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine.
What is the SMILES notation for (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine?
The canonical SMILES for (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine is [H]/N=C(C(=C1\NC(c2ccccc2)=Cc2ccc(F)cc21)/c1cccc(-c2ccccc2)c1)\c1ccccc1.
What is the InChIKey of (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine?
The InChIKey is WNKFIOXZEHLUPO-UUXTXWQESA-N. The full InChI is InChI=1S/C35H25FN2/c36-30-20-19-28-22-32(25-13-6-2-7-14-25)38-35(31(28)23-30)33(34(37)26-15-8-3-9-16-26)29-18-10-17-27(21-29)24-11-4-1-5-12-24/h1-23,37-38H/b35-33-,37-34+.
What are the key properties of (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine?
(2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine has a molecular weight of 492.60 g/mol, XLogP of 8.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-1-phenyl-2-(3-phenylphenyl)ethanimine is sourced from PubChem (CID 144671150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).