Basic information
- CAS
7470-29-3- Standard SMILES
O=C(Oc1ccc(C2(c3ccc(OC(=O)c4cccc(Br)c4)cc3)c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1)c1cccc(Br)c1- InChIKey
PIORNYQNWKOQQT-UHFFFAOYSA-N- Molecular formula
- C52H34Br2O4
- Average molar mass
- 882.6 g/mol
- Monoisotopic mass
- 880.08238
Names & identifiers
- Preferred name
- (10,10-Diphenyl-9,10-dihydroanthracene-9,9-diyl)di(4,1-phenylene) bis(3-bromobenzoate)
- IUPAC
- [4-[9-[4-(3-bromobenzoyl)oxyphenyl]-10,10-diphenylanthracen-9-yl]phenyl] 3-bromobenzoate
- English name
- [4-[9-[4-(3-bromobenzoyl)oxyphenyl]-10,10-diphenyl-anthracen-9-yl]phenyl] 3-bromobenzoate
- Molecular formula
- C52H34Br2O4
- Molecular weight
- 882.63
Names & synonyms
7470-29-3NSC402479DTXSID70322963NSC-402479(10,10-Diphenyl-9,10-dihydroanthracene-9,9-diyl)di(4,1-phenylene) bis(3-bromobenzoate)[4-[9-[4-(3-bromobenzoyl)oxyphenyl]-10,10-diphenyl-anthracen-9-yl]phenyl] 3-bromobenzoateBenzoic acid, 3-bromo-, (10,10-diphenyl-9(10H)-anthracenylidene)di-4,1-phenylene ester (9CI)
Database identifiers
- CAS
7470-29-3- PubChem CID
- 345136
- DTXSID
DTXSID70322963
Properties
Computed structural properties
- XLogP
- 14.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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