7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene

C28H42N8 — CID 91069140

IUPAC7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene
SMILESC=c1cc(C)[nH]cc[nH]c(=C)cc(C)n(N2CC/N=C(/C)C/C(C)=N\CC/N=C(/C)C=C2C)cc[nH]1
InChIInChI=1S/C28H42N8/c1-21-17-23(3)33-13-15-35(27(7)19-25(5)31-11-9-29-21)36-16-14-34-24(4)18-22(2)30-10-12-32-26(6)20-28(36)8/h9,11,13,15,17,19-20,29,31,33H,3,5,10,12,14,16,18H2,1-2,4,6-8H3/b11-9+,15-13+,21-17+,27-19+,28-20?,30-22-,32-26-,34-24-
InChIKeyXRUMLCLECQNAGQ-IQGLLEKXSA-N
MW490.70 g/mol
LogP3.91
Rot. Bonds1

About 7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene

7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene (PubChem CID 91069140) has the molecular formula C28H42N8 and a molecular weight of 490.70 g/mol. Its IUPAC name is 7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene.

Molecular Properties

Compound Name7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene
PubChem CID91069140
Molecular FormulaC28H42N8
Molecular Weight490.70 g/mol
Exact Mass490.35
IUPAC Name7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene
SMILESC=c1cc(C)[nH]cc[nH]c(=C)cc(C)n(N2CC/N=C(/C)C/C(C)=N\CC/N=C(/C)C=C2C)cc[nH]1
InChIInChI=1S/C28H42N8/c1-21-17-23(3)33-13-15-35(27(7)19-25(5)31-11-9-29-21)36-16-14-34-24(4)18-22(2)30-10-12-32-26(6)20-28(36)8/h9,11,13,15,17,19-20,29,31,33H,3,5,10,12,14,16,18H2,1-2,4,6-8H3/b11-9+,15-13+,21-17+,27-19+,28-20?,30-22-,32-26-,34-24-
InChIKeyXRUMLCLECQNAGQ-IQGLLEKXSA-N
XLogP3.91
TPSA92.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.70
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene with MolForge

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Related Compounds

N'-[2-[1-[6-[N-[2-(2-aminoethylamino)ethyl]-C-methylcarbonimidoyl]-1,2-dihydropyridin-2-yl]ethylideneamino]ethyl]ethane-1,2-diamine
CID 6393957

Frequently Asked Questions

What is the IUPAC name of 7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene?
The IUPAC name of 7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene (CID 91069140) is 7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene.
What is the SMILES notation for 7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene?
The canonical SMILES for 7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene is C=c1cc(C)[nH]cc[nH]c(=C)cc(C)n(N2CC/N=C(/C)C/C(C)=N\CC/N=C(/C)C=C2C)cc[nH]1.
What is the InChIKey of 7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene?
The InChIKey is XRUMLCLECQNAGQ-IQGLLEKXSA-N. The full InChI is InChI=1S/C28H42N8/c1-21-17-23(3)33-13-15-35(27(7)19-25(5)31-11-9-29-21)36-16-14-34-24(4)18-22(2)30-10-12-32-26(6)20-28(36)8/h9,11,13,15,17,19-20,29,31,33H,3,5,10,12,14,16,18H2,1-2,4,6-8H3/b11-9+,15-13+,21-17+,27-19+,28-20?,30-22-,32-26-,34-24-.
What are the key properties of 7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene?
7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene has a molecular weight of 490.70 g/mol, XLogP of 3.91, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-dimethyl-5,12-dimethylidene-1-(5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-4,7,11,13-tetraen-1-yl)-1,4,8,11-tetrazacyclotetradeca-2,6,9,13-tetraene is sourced from PubChem (CID 91069140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).