2-[4-[4-(3,5-diphenyl-1H-tetrazol-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyl-1H-tetrazole;dihydrochloride
Basic information
- CAS
101329-54-8- Standard SMILES
COc1cc(-c2ccc(N3NC(c4ccccc4)=NN3c3ccccc3)c(OC)c2)ccc1N1NC(c2ccccc2)=NN1c1ccccc1.Cl.Cl- InChIKey
RCEHREKDVGHYAM-UHFFFAOYSA-N- Molecular formula
- C40H36Cl2N8O2
- Average molar mass
- 731.7 g/mol
- Monoisotopic mass
- 730.2338278
Names & identifiers
- Preferred name
- 2-[4-[4-(3,5-diphenyl-1H-tetrazol-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyl-1H-tetrazole;dihydrochloride
- IUPAC
- 2-[4-[4-(3,5-diphenyl-1H-tetrazol-2-yl)-3-methoxyphenyl]-2-methoxyphenyl]-3,5-diphenyl-1H-tetrazole;dihydrochloride
Names & synonyms
SCHEMBL1557228DTXSID50906063101329-54-82,2'-(3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(3,5-diphenyl-2,3-dihydro-1H-tetrazole)--hydrogen chloride (1/2)
Database identifiers
- CAS
101329-54-8- PubChem CID
- 74634
- DTXSID
DTXSID50906063
Properties
Computed structural properties
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,060
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