(E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine

C22H19N — CID 10661739

IUPAC(E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19N/c1-3-8-19(9-4-1)10-7-17-23-18-20-13-15-22(16-14-20)21-11-5-2-6-12-21/h1-17H,18H2/b10-7+,23-17+
InChIKeyPTWXJVATGXIOEO-JJDBKLRKSA-N
MW297.40 g/mol
LogP5.64
Rot. Bonds5

About (E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine

(E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine (PubChem CID 10661739) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is (E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine
PubChem CID10661739
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name(E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19N/c1-3-8-19(9-4-1)10-7-17-23-18-20-13-15-22(16-14-20)21-11-5-2-6-12-21/h1-17H,18H2/b10-7+,23-17+
InChIKeyPTWXJVATGXIOEO-JJDBKLRKSA-N
XLogP5.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.64
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)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine?
The IUPAC name of (E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine (CID 10661739) is (E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine.
What is the SMILES notation for (E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine?
The canonical SMILES for (E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine is C(=C/c1ccccc1)\C=N\Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine?
The InChIKey is PTWXJVATGXIOEO-JJDBKLRKSA-N. The full InChI is InChI=1S/C22H19N/c1-3-8-19(9-4-1)10-7-17-23-18-20-13-15-22(16-14-20)21-11-5-2-6-12-21/h1-17H,18H2/b10-7+,23-17+.
What are the key properties of (E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine?
(E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine has a molecular weight of 297.40 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-imine is sourced from PubChem (CID 10661739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).