9H-Bis(1,2,4)triazolo(4,3-a:3',4'-d)(1,5)benzodiazepine, 6,12-diphenyl-

Substructure search Find similar structures

Basic information

CAS: 133118-28-2
Standard SMILES: c1ccc(-c2nnc3n2-c2ccccc2-n2c(nnc2-c2ccccc2)C3)cc1
InChIKey: JPLGNGRTRPBDFU-UHFFFAOYSA-N
Molecular formula: C23H16N6
Average molar mass: 376.4 g/mol
Monoisotopic mass: 376.14364454

Names & identifiers

Preferred name: 9H-Bis(1,2,4)triazolo(4,3-a:3',4'-d)(1,5)benzodiazepine, 6,12-diphenyl-
IUPAC: 3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaene

Names & synonyms

BRN 42109389H-Bis(1,2,4)triazolo(4,3-a:3',4'-d)(1,5)benzodiazepine, 6,12-diphenyl-133118-28-26,12-Diphenyl-9H-bis(1,2,4)triazolo(4,3-a:3',4'-d)(1,5)benzodiazepineDTXSID301579706,12-Diphenyl-9H-bis[1,2,4]triazolo[4,3-a:3',4'-d][1,5]benzodiazepineRefChem:313358DTXCID9080461SCHEMBL128413559H-Bis[1,2,4]triazolo[3,4-d:4',3'-a][1,5]benzodiazepine, 6,12-diphenyl-

Database identifiers

CAS: 133118-28-2
PubChem CID: 3076975
DTXSID: DTXSID30157970

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 29
Formal charge: 0
Complexity: 512

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…