Isoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-6-(4-biphenylyl)-2,3,4,12,13-pentamethoxy-
Basic information
- CAS
82802-94-6- Standard SMILES
COc1cc2c(cc1OC)C1c3cc(OC)c(OC)c(OC)c3N=C(c3ccc(-c4ccccc4)cc3)CN1CC2- InChIKey
WIUJZGWUYXSHFM-UHFFFAOYSA-N- Molecular formula
- C34H34N2O5
- Average molar mass
- 550.6 g/mol
- Monoisotopic mass
- 550.24677219
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-6-(4-biphenylyl)-2,3,4,12,13-pentamethoxy-
- IUPAC
- 2,3,4,12,13-pentamethoxy-6-(4-phenylphenyl)-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepine
- English name
- 6-(4-Biphenylyl)-2,3,4,12,13-pentamethoxy-9,10-dihydro-7H-isoquino(2,1-d)(1,4)benzodiazepine
- Molecular formula
- C34H34N2O5
- Molecular weight
- 550.64
Names & synonyms
82802-94-66-(4-Biphenylyl)-2,3,4,12,13-pentamethoxy-9,10-dihydro-7H-isoquino(2,1-d)(1,4)benzodiazepineIsoquino(2,1-d)(1,4)benzodiazepine, 7,9,10,14b-tetrahydro-6-(4-biphenylyl)-2,3,4,12,13-pentamethoxy-RefChem:349869DTXSID1010029136-([1,1'-Biphenyl]-4-yl)-2,3,4,12,13-pentamethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepineIsoquino[2,1-d][1,4]benzodiazepine, 6-[1,1'-biphenyl]-4-yl-7,9,10,14b-tetrahydro-2,3,4,12,13-pentamethoxy-
Database identifiers
- CAS
82802-94-6- PubChem CID
- 54915
- DTXSID
DTXSID101002913- Nikkaji
- J68.825H
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 871
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Compound notes
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