2-[4-[4-(3,5-Diphenyl-3,4-dihydropyrazol-2-yl)phenyl]phenyl]-3,5-diphenyl-3,4-dihydropyrazole
Basic information
- CAS
43040-07-9- Standard SMILES
c1ccc(C2=NN(c3ccc(-c4ccc(N5N=C(c6ccccc6)CC5c5ccccc5)cc4)cc3)C(c3ccccc3)C2)cc1- InChIKey
QASBHYDZSKFAMS-UHFFFAOYSA-N- Molecular formula
- C42H34N4
- Average molar mass
- 594.7 g/mol
Names & identifiers
- Preferred name
- 2-[4-[4-(3,5-Diphenyl-3,4-dihydropyrazol-2-yl)phenyl]phenyl]-3,5-diphenyl-3,4-dihydropyrazole
- IUPAC
- 2-[4-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]phenyl]-3,5-diphenyl-3,4-dihydropyrazole
- English name
- 1,1'-(1,1'-Biphenyl)-4,4'-diylbis(4,5-dihydro-3,5-diphenyl)-(1H)-pyrazole
- Molecular formula
- C42H34N4
- Molecular weight
- 594.75
Names & synonyms
43040-07-91H-Pyrazole, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[4,5-dihydro-3,5-diphenyl- (9CI)
Database identifiers
- CAS
43040-07-9
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 928
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