4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine

C23H22N2 — CID 170235226

IUPAC4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine
SMILESC=c1ccc(C)cc(=C)cc(-c2ncnc(=C)ccccc2=C)cc1
InChIInChI=1S/C23H22N2/c1-17-10-11-18(2)14-19(3)15-22(13-12-17)23-20(4)8-6-7-9-21(5)24-16-25-23/h6-16H,1,3-5H2,2H3/b8-6+,9-7-,11-10-,13-12+,18-14+,22-15+,24-16+,25-23+
InChIKeyLSWLIGIKJGIIIZ-DLYGDRAOSA-N
MW326.44 g/mol
LogP2.34
Rot. Bonds1

About 4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine

4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine (PubChem CID 170235226) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine.

Molecular Properties

Compound Name4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine
PubChem CID170235226
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine
SMILESC=c1ccc(C)cc(=C)cc(-c2ncnc(=C)ccccc2=C)cc1
InChIInChI=1S/C23H22N2/c1-17-10-11-18(2)14-19(3)15-22(13-12-17)23-20(4)8-6-7-9-21(5)24-16-25-23/h6-16H,1,3-5H2,2H3/b8-6+,9-7-,11-10-,13-12+,18-14+,22-15+,24-16+,25-23+
InChIKeyLSWLIGIKJGIIIZ-DLYGDRAOSA-N
XLogP2.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine 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 4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine?
The IUPAC name of 4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine (CID 170235226) is 4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine.
What is the SMILES notation for 4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine?
The canonical SMILES for 4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine is C=c1ccc(C)cc(=C)cc(-c2ncnc(=C)ccccc2=C)cc1.
What is the InChIKey of 4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine?
The InChIKey is LSWLIGIKJGIIIZ-DLYGDRAOSA-N. The full InChI is InChI=1S/C23H22N2/c1-17-10-11-18(2)14-19(3)15-22(13-12-17)23-20(4)8-6-7-9-21(5)24-16-25-23/h6-16H,1,3-5H2,2H3/b8-6+,9-7-,11-10-,13-12+,18-14+,22-15+,24-16+,25-23+.
What are the key properties of 4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine?
4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine has a molecular weight of 326.44 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3,8-dimethylidenecyclodeca-1,4,6,9-tetraen-1-yl)-5,10-dimethylidene-1,3-diazecine is sourced from PubChem (CID 170235226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).