1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine

C32H28N4 — CID 166987238

IUPAC1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine
SMILESC=C(N/N=C/C(=C/c1ccccc1)c1ccccc1)N/N=C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C32H28N4/c1-26(35-33-24-31(29-18-10-4-11-19-29)22-27-14-6-2-7-15-27)36-34-25-32(30-20-12-5-13-21-30)23-28-16-8-3-9-17-28/h2-25,35-36H,1H2/b31-22-,32-23-,33-24+,34-25+
InChIKeyJFYBVYMBYJSPKB-OKLKHNCUSA-N
MW468.60 g/mol
LogP7.09
Rot. Bonds10

About 1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine

1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine (PubChem CID 166987238) has the molecular formula C32H28N4 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine
PubChem CID166987238
Molecular FormulaC32H28N4
Molecular Weight468.60 g/mol
Exact Mass468.23
IUPAC Name1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine
SMILESC=C(N/N=C/C(=C/c1ccccc1)c1ccccc1)N/N=C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C32H28N4/c1-26(35-33-24-31(29-18-10-4-11-19-29)22-27-14-6-2-7-15-27)36-34-25-32(30-20-12-5-13-21-30)23-28-16-8-3-9-17-28/h2-25,35-36H,1H2/b31-22-,32-23-,33-24+,34-25+
InChIKeyJFYBVYMBYJSPKB-OKLKHNCUSA-N
XLogP7.09
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[[(E)-2,3-diphenylprop-2-enylidene]amino]-N-phenylaniline
CID 5357615
(2E,4E)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927310
(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927311
(4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one
CID 102350773
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
4,5-diphenylpenta-2,4-dienal
CID 54539333
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
(2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide
CID 56927308
4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3833151
[(1Z,3Z)-5-methyl-1-phenylhexa-1,3-dien-2-yl]benzene
CID 10901004
4,5-diphenylpenta-2,4-dienoyl chloride
CID 54542291
[(1Z)-2-bromo-3-phenylbuta-1,3-dienyl]benzene
CID 13149972

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine (CID 166987238) is 1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine is C=C(N/N=C/C(=C/c1ccccc1)c1ccccc1)N/N=C/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine?
The InChIKey is JFYBVYMBYJSPKB-OKLKHNCUSA-N. The full InChI is InChI=1S/C32H28N4/c1-26(35-33-24-31(29-18-10-4-11-19-29)22-27-14-6-2-7-15-27)36-34-25-32(30-20-12-5-13-21-30)23-28-16-8-3-9-17-28/h2-25,35-36H,1H2/b31-22-,32-23-,33-24+,34-25+.
What are the key properties of 1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine?
1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine has a molecular weight of 468.60 g/mol, XLogP of 7.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis[(E)-[(E)-2,3-diphenylprop-2-enylidene]amino]ethene-1,1-diamine is sourced from PubChem (CID 166987238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).