1H-Indole, 5,5'-(1,3-butadiyne-1,4-diyl)bis[1-methyl-
Basic information
- CAS
61640-22-0- Standard SMILES
Cn1ccc2cc(C#CC#Cc3ccc4c(ccn4C)c3)ccc21- InChIKey
VZVURSRSDDRUBE-UHFFFAOYSA-N- Molecular formula
- C22H16N2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.13134852
Names & identifiers
- Preferred name
- 1H-Indole, 5,5'-(1,3-butadiyne-1,4-diyl)bis[1-methyl-
- IUPAC
- 1-methyl-5-[4-(1-methylindol-5-yl)buta-1,3-diynyl]indole
Names & synonyms
61640-22-01H-Indole, 5,5'-(1,3-butadiyne-1,4-diyl)bis[1-methyl-DTXSID604856175,5'-(Buta-1,3-diyne-1,4-diyl)bis(1-methyl-1H-indole)
Database identifiers
- CAS
61640-22-0- PubChem CID
- 12296262
- DTXSID
DTXSID60485617
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 9.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 542
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Compound notes
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