N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine

C22H18FN — CID 139124130

IUPACN-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\C(=C/c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H18FN/c1-17(19-12-14-21(23)15-13-19)24-22(20-10-6-3-7-11-20)16-18-8-4-2-5-9-18/h2-16H,1H3/b22-16-,24-17+
InChIKeyRHAFDKOHFWYVJC-HVYPPAAASA-N
MW315.39 g/mol
LogP5.83
Rot. Bonds4

About N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine

N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine (PubChem CID 139124130) has the molecular formula C22H18FN and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine.

Molecular Properties

Compound NameN-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine
PubChem CID139124130
Molecular FormulaC22H18FN
Molecular Weight315.39 g/mol
Exact Mass315.14
IUPAC NameN-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine
SMILESC/C(=N\C(=C/c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H18FN/c1-17(19-12-14-21(23)15-13-19)24-22(20-10-6-3-7-11-20)16-18-8-4-2-5-9-18/h2-16H,1H3/b22-16-,24-17+
InChIKeyRHAFDKOHFWYVJC-HVYPPAAASA-N
XLogP5.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.39
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine?
The IUPAC name of N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine (CID 139124130) is N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine.
What is the SMILES notation for N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine?
The canonical SMILES for N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine is C/C(=N\C(=C/c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine?
The InChIKey is RHAFDKOHFWYVJC-HVYPPAAASA-N. The full InChI is InChI=1S/C22H18FN/c1-17(19-12-14-21(23)15-13-19)24-22(20-10-6-3-7-11-20)16-18-8-4-2-5-9-18/h2-16H,1H3/b22-16-,24-17+.
What are the key properties of N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine?
N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine has a molecular weight of 315.39 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine is sourced from PubChem (CID 139124130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).