N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine

C24H26N4 — CID 91459294

IUPACN'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine
SMILESC1=CCC(C2C=C(N=C/C=N/C3=NCCC(C4=CCCC=C4)=C3)N=CC2)C=C1
InChIInChI=1S/C24H26N4/c1-3-7-19(8-4-1)21-11-13-25-23(17-21)27-15-16-28-24-18-22(12-14-26-24)20-9-5-2-6-10-20/h1,3-5,7,9-10,13,15-19,21H,2,6,8,11-12,14H2/b27-15?,28-16+
InChIKeyCKYFWVBEMXGECM-VAHHGSKZSA-N
MW370.50 g/mol
LogP5.20
Rot. Bonds4

About N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine

N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine (PubChem CID 91459294) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine.

Molecular Properties

Compound NameN'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine
PubChem CID91459294
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC NameN'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine
SMILESC1=CCC(C2C=C(N=C/C=N/C3=NCCC(C4=CCCC=C4)=C3)N=CC2)C=C1
InChIInChI=1S/C24H26N4/c1-3-7-19(8-4-1)21-11-13-25-23(17-21)27-15-16-28-24-18-22(12-14-26-24)20-9-5-2-6-10-20/h1,3-5,7,9-10,13,15-19,21H,2,6,8,11-12,14H2/b27-15?,28-16+
InChIKeyCKYFWVBEMXGECM-VAHHGSKZSA-N
XLogP5.20
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine with MolForge

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Related Compounds

2-(3,4-Dihydropyridin-3-yl)-6-(3-fluorocyclohexa-2,4-dien-1-yl)-6,7-dihydroquinazolin-4-amine
CID 135127970
5-(2,3-Dihydropyrazin-2-yl)-2-(2,3-dihydropyridin-2-yl)-4-(2,3-dihydropyridin-4-yl)-4,5-dihydropyrimidine
CID 68030106
2-cyclohexa-1,3-dien-1-yl-6-(6-methylcyclohex-3-en-1-yl)-6H-1,3,5-triazepine
CID 129306657
(3Z)-3-ethylidene-N-[(Z)-6-ethylnon-2-en-3-yl]pyridin-2-imine
CID 142388191
2-Cyclohexa-1,5-dien-1-yl-4-hexa-1,5-dien-3-yl-4,5-dihydropyrimidine
CID 156490360
5,7,14,16-Tetrazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 163488623
N'-[(E)-2-cyclohexa-1,3-dien-1-ylethenyl]-N-(cyclohexa-1,5-dien-1-ylmethylidene)cyclohexa-2,4-diene-1-carboximidamide
CID 166864724

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine?
The IUPAC name of N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine (CID 91459294) is N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine.
What is the SMILES notation for N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine?
The canonical SMILES for N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine is C1=CCC(C2C=C(N=C/C=N/C3=NCCC(C4=CCCC=C4)=C3)N=CC2)C=C1.
What is the InChIKey of N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine?
The InChIKey is CKYFWVBEMXGECM-VAHHGSKZSA-N. The full InChI is InChI=1S/C24H26N4/c1-3-7-19(8-4-1)21-11-13-25-23(17-21)27-15-16-28-24-18-22(12-14-26-24)20-9-5-2-6-10-20/h1,3-5,7,9-10,13,15-19,21H,2,6,8,11-12,14H2/b27-15?,28-16+.
What are the key properties of N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine?
N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine has a molecular weight of 370.50 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclohexa-1,5-dien-1-yl-2,3-dihydropyridin-6-yl)-N-(4-cyclohexa-2,4-dien-1-yl-3,4-dihydropyridin-6-yl)ethane-1,2-diimine is sourced from PubChem (CID 91459294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).