1,1',1'',1'''-[Buta-1,3-diyne-1,4-diyldi(cycloprop-1-ene-3,1,2-triyl)]tetrabenzene
Basic information
- CAS
7230-81-1- Standard SMILES
C(C#CC1C(c2ccccc2)=C1c1ccccc1)#CC1C(c2ccccc2)=C1c1ccccc1- InChIKey
IMVMKCSJNLRWMG-UHFFFAOYSA-N- Molecular formula
- C34H22
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.1721507
Names & identifiers
- Preferred name
- 1,1',1'',1'''-[Buta-1,3-diyne-1,4-diyldi(cycloprop-1-ene-3,1,2-triyl)]tetrabenzene
- IUPAC
- [3-[4-(2,3-diphenylcycloprop-2-en-1-yl)buta-1,3-diynyl]-2-phenylcyclopropen-1-yl]benzene
Names & synonyms
7230-81-1DTXSID604130361,1',1'',1'''-[Buta-1,3-diyne-1,4-diyldi(cycloprop-1-ene-3,1,2-triyl)]tetrabenzene
Database identifiers
- CAS
7230-81-1- PubChem CID
- 5247293
- DTXSID
DTXSID60413036- Nikkaji
- J1.281.666I
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 800
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Compound notes
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