4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline

C27H22N2 — CID 6282936

IUPAC4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline
SMILESC(=C/Nc1ccc(-c2ccccc2)cc1)\C=N\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H22N2/c1-3-8-22(9-4-1)24-12-16-26(17-13-24)28-20-7-21-29-27-18-14-25(15-19-27)23-10-5-2-6-11-23/h1-21,28H/b20-7+,29-21+
InChIKeyNMTVOLGEUFUEOW-GGUAGVTFSA-N
MW374.49 g/mol
LogP7.35
Rot. Bonds6

About 4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline

4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline (PubChem CID 6282936) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline
PubChem CID6282936
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC Name4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline
SMILESC(=C/Nc1ccc(-c2ccccc2)cc1)\C=N\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H22N2/c1-3-8-22(9-4-1)24-12-16-26(17-13-24)28-20-7-21-29-27-18-14-25(15-19-27)23-10-5-2-6-11-23/h1-21,28H/b20-7+,29-21+
InChIKeyNMTVOLGEUFUEOW-GGUAGVTFSA-N
XLogP7.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline?
The IUPAC name of 4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline (CID 6282936) is 4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline.
What is the SMILES notation for 4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline?
The canonical SMILES for 4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline is C(=C/Nc1ccc(-c2ccccc2)cc1)\C=N\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline?
The InChIKey is NMTVOLGEUFUEOW-GGUAGVTFSA-N. The full InChI is InChI=1S/C27H22N2/c1-3-8-22(9-4-1)24-12-16-26(17-13-24)28-20-7-21-29-27-18-14-25(15-19-27)23-10-5-2-6-11-23/h1-21,28H/b20-7+,29-21+.
What are the key properties of 4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline?
4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline has a molecular weight of 374.49 g/mol, XLogP of 7.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline is sourced from PubChem (CID 6282936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).