(E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine

C21H16BrN — CID 21177366

IUPAC(E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine
SMILESBrC(/C=N/c1ccc(-c2ccccc2)cc1)=C/c1ccccc1
InChIInChI=1S/C21H16BrN/c22-20(15-17-7-3-1-4-8-17)16-23-21-13-11-19(12-14-21)18-9-5-2-6-10-18/h1-16H/b20-15+,23-16+
InChIKeyJQXZOFJGDFMTJL-TXVCEBEKSA-N
MW362.27 g/mol
LogP6.49
Rot. Bonds4

About (E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine

(E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine (PubChem CID 21177366) has the molecular formula C21H16BrN and a molecular weight of 362.27 g/mol. Its IUPAC name is (E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine
PubChem CID21177366
Molecular FormulaC21H16BrN
Molecular Weight362.27 g/mol
Exact Mass361.05
IUPAC Name(E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine
SMILESBrC(/C=N/c1ccc(-c2ccccc2)cc1)=C/c1ccccc1
InChIInChI=1S/C21H16BrN/c22-20(15-17-7-3-1-4-8-17)16-23-21-13-11-19(12-14-21)18-9-5-2-6-10-18/h1-16H/b20-15+,23-16+
InChIKeyJQXZOFJGDFMTJL-TXVCEBEKSA-N
XLogP6.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.27
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine?
The IUPAC name of (E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine (CID 21177366) is (E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine.
What is the SMILES notation for (E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine?
The canonical SMILES for (E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine is BrC(/C=N/c1ccc(-c2ccccc2)cc1)=C/c1ccccc1.
What is the InChIKey of (E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine?
The InChIKey is JQXZOFJGDFMTJL-TXVCEBEKSA-N. The full InChI is InChI=1S/C21H16BrN/c22-20(15-17-7-3-1-4-8-17)16-23-21-13-11-19(12-14-21)18-9-5-2-6-10-18/h1-16H/b20-15+,23-16+.
What are the key properties of (E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine?
(E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine has a molecular weight of 362.27 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-3-phenyl-N-(4-phenylphenyl)prop-2-en-1-imine is sourced from PubChem (CID 21177366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).