(E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene

C24H32N4 — CID 134081582

IUPAC(E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene
SMILESC1=CC23CCCCC2(C=C1)CN(/N=N/N1CC24C=CC=CC2(CCCC4)C1)C3
InChIInChI=1S/C24H32N4/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/h1-2,5-6,9-10,13-14H,3-4,7-8,11-12,15-20H2/b26-25+
InChIKeyWCSNKQPGRWYFHU-OCEACIFDSA-N
MW376.55 g/mol
LogP5.25
Rot. Bonds2

About (E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene

(E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene (PubChem CID 134081582) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is (E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene.

Molecular Properties

Compound Name(E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene
PubChem CID134081582
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name(E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene
SMILESC1=CC23CCCCC2(C=C1)CN(/N=N/N1CC24C=CC=CC2(CCCC4)C1)C3
InChIInChI=1S/C24H32N4/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/h1-2,5-6,9-10,13-14H,3-4,7-8,11-12,15-20H2/b26-25+
InChIKeyWCSNKQPGRWYFHU-OCEACIFDSA-N
XLogP5.25
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.55
LogP ≤ 55.25
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'}

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Related Compounds

(Z)-[(1S,6R)-12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl]-[(1R,6R)-12-azatricyclo[4.4.3.01,6]tridec-3-en-12-yl]diazene
CID 98533685
(1S,7S)-13λ6-thiatricyclo[5.4.3.01,7]tetradeca-8,10-diene 13,13-dioxide
CID 98162129
spiro[4.14]nonadeca-1,3-diene
CID 59742110
spiro[4.10]pentadeca-1,3-diene
CID 59741946
spiro[4.7]dodeca-1,3-diene
CID 59742087
(1S,6R,11S)-11-chloro-12λ6-thiatricyclo[4.4.3.01,6]trideca-2,4-diene 12,12-dioxide
CID 92526025
(6Z,8Z,10Z)-5-methyl-5-azaspiro[2.8]undeca-6,8,10-triene
CID 139245201
(1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol
CID 98162193
(1S,6R)-12-nitroso-12-azatricyclo[4.4.3.01,6]tridec-3-ene
CID 94037220
4,4-dimethylspiro[4.5]dec-9-ene
CID 102083414
(4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
CID 14339064
(2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol
CID 12742760

Frequently Asked Questions

What is the IUPAC name of (E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene?
The IUPAC name of (E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene (CID 134081582) is (E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene.
What is the SMILES notation for (E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene?
The canonical SMILES for (E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene is C1=CC23CCCCC2(C=C1)CN(/N=N/N1CC24C=CC=CC2(CCCC4)C1)C3.
What is the InChIKey of (E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene?
The InChIKey is WCSNKQPGRWYFHU-OCEACIFDSA-N. The full InChI is InChI=1S/C24H32N4/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/h1-2,5-6,9-10,13-14H,3-4,7-8,11-12,15-20H2/b26-25+.
What are the key properties of (E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene?
(E)-bis(12-azatricyclo[4.4.3.01,6]trideca-2,4-dien-12-yl)diazene has a molecular weight of 376.55 g/mol, XLogP of 5.25, 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]trideca-2,4-dien-12-yl)diazene is sourced from PubChem (CID 134081582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).