(2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide

C17H13N3O — CID 56927308

IUPAC(2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide
SMILES[N-]=[N+]=NC(=O)/C=C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13N3O/c18-20-19-17(21)12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-13H/b12-11+,16-13-
InChIKeyNHXWMWVQRLLOEM-SSLWBDRLSA-N
MW275.31 g/mol
LogP4.62
Rot. Bonds4

About (2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide

(2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide (PubChem CID 56927308) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is (2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide.

Molecular Properties

Compound Name(2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide
PubChem CID56927308
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name(2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide
SMILES[N-]=[N+]=NC(=O)/C=C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13N3O/c18-20-19-17(21)12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-13H/b12-11+,16-13-
InChIKeyNHXWMWVQRLLOEM-SSLWBDRLSA-N
XLogP4.62
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927310
(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927311
4,5-diphenylpenta-2,4-dienoyl chloride
CID 54542291
4,5-diphenylpenta-2,4-dienal
CID 54539333
1,3-diazido-4-phenylbut-3-en-2-one
CID 139762508
tert-butyl (2E,4Z)-4,5-diphenylpenta-2,4-dienoate
CID 56653095
(E)-3-(2-iodophenyl)prop-2-enoyl azide
CID 10542133
benzoyl azide;hydrochloride
CID 174620684
(E)-2-cyano-3-phenylprop-2-enoyl azide
CID 11019836
2-oxo-2-phenylacetyl azide
CID 54447915
[(1Z,3Z)-5-methyl-1-phenylhexa-1,3-dien-2-yl]benzene
CID 10901004
benzoyl azide;(NE)-N-ethylidenehydroxylamine
CID 135184096

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide?
The IUPAC name of (2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide (CID 56927308) is (2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide.
What is the SMILES notation for (2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide?
The canonical SMILES for (2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide is [N-]=[N+]=NC(=O)/C=C/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide?
The InChIKey is NHXWMWVQRLLOEM-SSLWBDRLSA-N. The full InChI is InChI=1S/C17H13N3O/c18-20-19-17(21)12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-13H/b12-11+,16-13-.
What are the key properties of (2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide?
(2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide has a molecular weight of 275.31 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide is sourced from PubChem (CID 56927308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).