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

C45H31FN2 — CID 144670906

IUPAC(2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine
SMILES[H]/N=C(C(=C1\NC(c2ccccc2)=Cc2ccc(F)cc21)/c1cccc(-c2cccc3ccccc23)c1)\c1cccc(-c2ccccc2)c1
InChIInChI=1S/C45H31FN2/c46-38-25-24-35-28-42(32-15-5-2-6-16-32)48-45(41(35)29-38)43(44(47)37-21-9-18-33(26-37)30-12-3-1-4-13-30)36-20-10-19-34(27-36)40-23-11-17-31-14-7-8-22-39(31)40/h1-29,47-48H/b45-43-,47-44+
InChIKeyJNBGWENYDNCIAR-MABGMYOFSA-N
MW618.76 g/mol
LogP11.35
Rot. Bonds6

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

(2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine (PubChem CID 144670906) has the molecular formula C45H31FN2 and a molecular weight of 618.76 g/mol. Its IUPAC name is (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine.

Molecular Properties

Compound Name(2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine
PubChem CID144670906
Molecular FormulaC45H31FN2
Molecular Weight618.76 g/mol
Exact Mass618.25
IUPAC Name(2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine
SMILES[H]/N=C(C(=C1\NC(c2ccccc2)=Cc2ccc(F)cc21)/c1cccc(-c2cccc3ccccc23)c1)\c1cccc(-c2ccccc2)c1
InChIInChI=1S/C45H31FN2/c46-38-25-24-35-28-42(32-15-5-2-6-16-32)48-45(41(35)29-38)43(44(47)37-21-9-18-33(26-37)30-12-3-1-4-13-30)36-20-10-19-34(27-36)40-23-11-17-31-14-7-8-22-39(31)40/h1-29,47-48H/b45-43-,47-44+
InChIKeyJNBGWENYDNCIAR-MABGMYOFSA-N
XLogP11.35
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.76
LogP ≤ 511.35
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)-2-(3-naphthalen-1-ylphenyl)-1-(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)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine?
The IUPAC name of (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine (CID 144670906) is (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine.
What is the SMILES notation for (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine?
The canonical SMILES for (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine is [H]/N=C(C(=C1\NC(c2ccccc2)=Cc2ccc(F)cc21)/c1cccc(-c2cccc3ccccc23)c1)\c1cccc(-c2ccccc2)c1.
What is the InChIKey of (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine?
The InChIKey is JNBGWENYDNCIAR-MABGMYOFSA-N. The full InChI is InChI=1S/C45H31FN2/c46-38-25-24-35-28-42(32-15-5-2-6-16-32)48-45(41(35)29-38)43(44(47)37-21-9-18-33(26-37)30-12-3-1-4-13-30)36-20-10-19-34(27-36)40-23-11-17-31-14-7-8-22-39(31)40/h1-29,47-48H/b45-43-,47-44+.
What are the key properties of (2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine?
(2Z)-2-(7-fluoro-3-phenyl-2H-isoquinolin-1-ylidene)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine has a molecular weight of 618.76 g/mol, XLogP of 11.35, 6 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)-2-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)ethanimine is sourced from PubChem (CID 144670906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).