1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole
Basic information
- CAS
120551-57-7- Standard SMILES
CC1(C)CC(C)(c2c[nH]c3ccccc23)c2[nH]c3ccccc3c21- InChIKey
ZYVXSIBDWSNRFA-UHFFFAOYSA-N- Molecular formula
- C22H22N2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.17829871
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole
- IUPAC
- 3-(1H-indol-3-yl)-1,1,3-trimethyl-2,4-dihydrocyclopenta[b]indole
- English name
- 1,1,3-trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indole
- Molecular formula
- C22H22N2
- Molecular weight
- 314.42
Names & synonyms
120551-57-71,1,3-Trimethyl-3-(3'-indolyl)-1,2,3,4-tetrahydrocyclopent(b)indoleRefChem:709611,1,3-TITI3-(1H-Indol-3-yl)-1,1,3-trimethyl-1,2,3,4-tetrahydro-cyclopent(b)indoleDTXSID20923464Cyclopent(b)indole, 1,2,3,4-tetrahydro-3-(1H-indol-3-yl)-1,1,3-trimethyl-3-(1H-Indol-3-yl)-1,1,3-trimethyl-1,2,3,4-tetrahydrocyclopenta[b]indoleCyclopent[b]indole, 1,2,3,4-tetrahydro-3-(1H-indol-3-yl)-1,1,3-trimethyl-
Database identifiers
- CAS
120551-57-7- PubChem CID
- 129190
- DTXSID
DTXSID20923464
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 31.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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