(2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine

C24H22N2 — CID 170099647

IUPAC(2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine
SMILESC=C/C=C\C=C\c1ccn/c(=c2\nccc(C3C=CC=CC3)c2=C)c1=C
InChIInChI=1S/C24H22N2/c1-4-5-6-8-11-20-14-16-25-23(18(20)2)24-19(3)22(15-17-26-24)21-12-9-7-10-13-21/h4-12,14-17,21H,1-3,13H2/b6-5-,11-8+,24-23-
InChIKeyZBEXMDDXQSWDAM-BHASZVQTSA-N
MW338.45 g/mol
LogP3.94
Rot. Bonds4

About (2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine

(2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine (PubChem CID 170099647) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine.

Molecular Properties

Compound Name(2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine
PubChem CID170099647
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name(2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine
SMILESC=C/C=C\C=C\c1ccn/c(=c2\nccc(C3C=CC=CC3)c2=C)c1=C
InChIInChI=1S/C24H22N2/c1-4-5-6-8-11-20-14-16-25-23(18(20)2)24-19(3)22(15-17-26-24)21-12-9-7-10-13-21/h4-12,14-17,21H,1-3,13H2/b6-5-,11-8+,24-23-
InChIKeyZBEXMDDXQSWDAM-BHASZVQTSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine?
The IUPAC name of (2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine (CID 170099647) is (2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine.
What is the SMILES notation for (2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine?
The canonical SMILES for (2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine is C=C/C=C\C=C\c1ccn/c(=c2\nccc(C3C=CC=CC3)c2=C)c1=C.
What is the InChIKey of (2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine?
The InChIKey is ZBEXMDDXQSWDAM-BHASZVQTSA-N. The full InChI is InChI=1S/C24H22N2/c1-4-5-6-8-11-20-14-16-25-23(18(20)2)24-19(3)22(15-17-26-24)21-12-9-7-10-13-21/h4-12,14-17,21H,1-3,13H2/b6-5-,11-8+,24-23-.
What are the key properties of (2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine?
(2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine has a molecular weight of 338.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine is sourced from PubChem (CID 170099647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).