N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline

C27H22N2 — CID 5357615

IUPACN-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline
SMILESC(=NN(c1ccccc1)c1ccccc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22N2/c1-5-13-23(14-6-1)21-25(24-15-7-2-8-16-24)22-28-29(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H/b25-21-,28-22?
InChIKeyUJUUAFMHDJNYSS-FEUNWOAKSA-N
MW374.49 g/mol
LogP7.05
Rot. Bonds6

About N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline

N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline (PubChem CID 5357615) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline.

Molecular Properties

Compound NameN-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline
PubChem CID5357615
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC NameN-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline
SMILESC(=NN(c1ccccc1)c1ccccc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22N2/c1-5-13-23(14-6-1)21-25(24-15-7-2-8-16-24)22-28-29(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H/b25-21-,28-22?
InChIKeyUJUUAFMHDJNYSS-FEUNWOAKSA-N
XLogP7.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine
CID 166987238
N-[(E)-[4-(N-[4-(2,2-diphenylethenyl)phenyl]anilino)phenyl]methylideneamino]-4-methyl-N-(4-methylphenyl)aniline
CID 172928570
(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927311
N-[(Z)-1,2-diphenylethenyl]-N-phenylaniline
CID 67853928
(2E,4E)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927310
4,5-diphenylpenta-2,4-dienal
CID 54539333
N-(1,2-diphenylethenyl)-N-methylaniline
CID 76766210
[(1Z,3Z)-5-methyl-1-phenylhexa-1,3-dien-2-yl]benzene
CID 10901004
4,5-diphenylpenta-2,4-dienoyl chloride
CID 54542291
N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline
CID 132574218
N-[4-(3,4-diphenylbuta-1,3-dienyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54320320
N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline
CID 91118877

Frequently Asked Questions

What is the IUPAC name of N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline?
The IUPAC name of N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline (CID 5357615) is N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline.
What is the SMILES notation for N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline?
The canonical SMILES for N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline is C(=NN(c1ccccc1)c1ccccc1)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline?
The InChIKey is UJUUAFMHDJNYSS-FEUNWOAKSA-N. The full InChI is InChI=1S/C27H22N2/c1-5-13-23(14-6-1)21-25(24-15-7-2-8-16-24)22-28-29(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H/b25-21-,28-22?.
What are the key properties of N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline?
N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline has a molecular weight of 374.49 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline is sourced from PubChem (CID 5357615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).