5-Bromo-11,29-dimethyl-17,23-diphenylhexacyclo(25.3.1.13,7.19,13.115,19.121,25)pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol
Basic information
- CAS
184473-30-1- Standard SMILES
Cc1cc2c(O)c(c1)Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(C)cc(c1O)Cc1cc(Br)cc(c1O)C2- InChIKey
JQTIQKHPNJZUJX-UHFFFAOYSA-N- Molecular formula
- C49H41BrO5
- Average molar mass
- 789.7 g/mol
- Monoisotopic mass
- 788.21374
Names & identifiers
- Preferred name
- 5-Bromo-11,29-dimethyl-17,23-diphenylhexacyclo(25.3.1.13,7.19,13.115,19.121,25)pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol
- IUPAC
- 5-bromo-11,29-dimethyl-17,23-diphenylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21,23,25(32),27(31),28-pentadecaene-31,32,33,34,35-pentol
Names & synonyms
5-Bromo-11,29-dimethyl-17,23-diphenylhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol184473-30-15-Bromo-11,29-dimethyl-17,23-diphenylhexacyclo(25.3.1.13,7.19,13.115,19.121,25)pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentolRefChem:301454DTXSID501098617
Database identifiers
- CAS
184473-30-1- PubChem CID
- 85704772
- DTXSID
DTXSID501098617- Nikkaji
- J788.168A
Properties
Computed structural properties
- XLogP
- 12.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,120
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