1,1'-[(4-Ethynylphenyl)methylene]bis(3,6-di-tert-butylazulene)
Basic information
- CAS
923019-00-5- Standard SMILES
C#Cc1ccc(C(c2cc(C(C)(C)C)c3ccc(C(C)(C)C)ccc2-3)c2cc(C(C)(C)C)c3ccc(C(C)(C)C)ccc2-3)cc1- InChIKey
ASCSSWLLUWMDQI-UHFFFAOYSA-N- Molecular formula
- C45H52
- Average molar mass
- 592.9 g/mol
- Monoisotopic mass
- 592.40690166
Names & identifiers
- Preferred name
- 1,1'-[(4-Ethynylphenyl)methylene]bis(3,6-di-tert-butylazulene)
- IUPAC
- 1,6-ditert-butyl-3-[(3,6-ditert-butylazulen-1-yl)-(4-ethynylphenyl)methyl]azulene
Names & synonyms
923019-00-5DTXSID905828001,1'-[(4-Ethynylphenyl)methylene]bis(3,6-di-tert-butylazulene)
Database identifiers
- CAS
923019-00-5- PubChem CID
- 16100552
- DTXSID
DTXSID90582800
Properties
Computed structural properties
- XLogP
- 14.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 949
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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