acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine

C23H21N3 — CID 144765722

IUPACacetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine
SMILESC#C.C/C=C\C(=C/C)c1cc(-c2ccncc2)cc(-c2ccncc2)n1
InChIInChI=1S/C21H19N3.C2H2/c1-3-5-16(4-2)20-14-19(17-6-10-22-11-7-17)15-21(24-20)18-8-12-23-13-9-18;1-2/h3-15H,1-2H3;1-2H/b5-3-,16-4+;
InChIKeyVOONWOIJOHJNCR-SDGYGWKMSA-N
MW339.44 g/mol
LogP5.43
Rot. Bonds4

About acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine

acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine (PubChem CID 144765722) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine.

Molecular Properties

Compound Nameacetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine
PubChem CID144765722
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Nameacetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine
SMILESC#C.C/C=C\C(=C/C)c1cc(-c2ccncc2)cc(-c2ccncc2)n1
InChIInChI=1S/C21H19N3.C2H2/c1-3-5-16(4-2)20-14-19(17-6-10-22-11-7-17)15-21(24-20)18-8-12-23-13-9-18;1-2/h3-15H,1-2H3;1-2H/b5-3-,16-4+;
InChIKeyVOONWOIJOHJNCR-SDGYGWKMSA-N
XLogP5.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine?
The IUPAC name of acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine (CID 144765722) is acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine.
What is the SMILES notation for acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine?
The canonical SMILES for acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine is C#C.C/C=C\C(=C/C)c1cc(-c2ccncc2)cc(-c2ccncc2)n1.
What is the InChIKey of acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine?
The InChIKey is VOONWOIJOHJNCR-SDGYGWKMSA-N. The full InChI is InChI=1S/C21H19N3.C2H2/c1-3-5-16(4-2)20-14-19(17-6-10-22-11-7-17)15-21(24-20)18-8-12-23-13-9-18;1-2/h3-15H,1-2H3;1-2H/b5-3-,16-4+;.
What are the key properties of acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine?
acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine has a molecular weight of 339.44 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine is sourced from PubChem (CID 144765722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).