4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine

C24H26N2 — CID 170322748

IUPAC4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine
SMILESC=C(/C=C\C)/C=C\C(=C/C(=C)/C=C\C)c1ncnc(=C)ccccc1=C
InChIInChI=1S/C24H26N2/c1-7-11-19(3)15-16-23(17-20(4)12-8-2)24-21(5)13-9-10-14-22(6)25-18-26-24/h7-18H,3-6H2,1-2H3/b11-7-,12-8-,13-9+,14-10-,16-15-,23-17+,25-18+,26-24+
InChIKeyQXXLTJSCOPYEJC-WWWIMKSVSA-N
MW342.49 g/mol
LogP4.63
Rot. Bonds6

About 4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine

4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine (PubChem CID 170322748) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine.

Molecular Properties

Compound Name4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine
PubChem CID170322748
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine
SMILESC=C(/C=C\C)/C=C\C(=C/C(=C)/C=C\C)c1ncnc(=C)ccccc1=C
InChIInChI=1S/C24H26N2/c1-7-11-19(3)15-16-23(17-20(4)12-8-2)24-21(5)13-9-10-14-22(6)25-18-26-24/h7-18H,3-6H2,1-2H3/b11-7-,12-8-,13-9+,14-10-,16-15-,23-17+,25-18+,26-24+
InChIKeyQXXLTJSCOPYEJC-WWWIMKSVSA-N
XLogP4.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.63
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 4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine?
The IUPAC name of 4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine (CID 170322748) is 4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine.
What is the SMILES notation for 4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine?
The canonical SMILES for 4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine is C=C(/C=C\C)/C=C\C(=C/C(=C)/C=C\C)c1ncnc(=C)ccccc1=C.
What is the InChIKey of 4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine?
The InChIKey is QXXLTJSCOPYEJC-WWWIMKSVSA-N. The full InChI is InChI=1S/C24H26N2/c1-7-11-19(3)15-16-23(17-20(4)12-8-2)24-21(5)13-9-10-14-22(6)25-18-26-24/h7-18H,3-6H2,1-2H3/b11-7-,12-8-,13-9+,14-10-,16-15-,23-17+,25-18+,26-24+.
What are the key properties of 4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine?
4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine has a molecular weight of 342.49 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,5E,7Z,10Z)-4,9-dimethylidenedodeca-2,5,7,10-tetraen-6-yl]-5,10-dimethylidene-1,3-diazecine is sourced from PubChem (CID 170322748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).