(E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene

C24H36N4 — CID 5476684

IUPAC(E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene
SMILESC1=CCC23CCCCC2(C1)CN(/N=N/N1CC24CC=CCC2(CCCC4)C1)C3
InChIInChI=1S/C24H36N4/c1-2-10-22-12-4-3-11-21(22,9-1)17-27(18-22)25-26-28-19-23-13-5-6-14-24(23,20-28)16-8-7-15-23/h1-2,5-6H,3-4,7-20H2/b26-25+
InChIKeyKMSNNMWQDSKHEI-OCEACIFDSA-N
MW380.58 g/mol
LogP5.69
Rot. Bonds2

About (E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene

(E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene (PubChem CID 5476684) has the molecular formula C24H36N4 and a molecular weight of 380.58 g/mol. Its IUPAC name is (E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene.

Molecular Properties

Compound Name(E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene
PubChem CID5476684
Molecular FormulaC24H36N4
Molecular Weight380.58 g/mol
Exact Mass380.29
IUPAC Name(E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene
SMILESC1=CCC23CCCCC2(C1)CN(/N=N/N1CC24CC=CCC2(CCCC4)C1)C3
InChIInChI=1S/C24H36N4/c1-2-10-22-12-4-3-11-21(22,9-1)17-27(18-22)25-26-28-19-23-13-5-6-14-24(23,20-28)16-8-7-15-23/h1-2,5-6H,3-4,7-20H2/b26-25+
InChIKeyKMSNNMWQDSKHEI-OCEACIFDSA-N
XLogP5.69
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene 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 (E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene?
The IUPAC name of (E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene (CID 5476684) is (E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene.
What is the SMILES notation for (E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene?
The canonical SMILES for (E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene is C1=CCC23CCCCC2(C1)CN(/N=N/N1CC24CC=CCC2(CCCC4)C1)C3.
What is the InChIKey of (E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene?
The InChIKey is KMSNNMWQDSKHEI-OCEACIFDSA-N. The full InChI is InChI=1S/C24H36N4/c1-2-10-22-12-4-3-11-21(22,9-1)17-27(18-22)25-26-28-19-23-13-5-6-14-24(23,20-28)16-8-7-15-23/h1-2,5-6H,3-4,7-20H2/b26-25+.
What are the key properties of (E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene?
(E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene has a molecular weight of 380.58 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-bis(12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl)diazene is sourced from PubChem (CID 5476684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).