2,2'-(4-butyl-4-(pyrrolidin-1-yl)cyclohexan-1,1-diyl)bis(3-(2-(pyridin-4-yl)ethyl)-1H-indole)
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Basic information
- Standard SMILES
CCCCC1(N2CCCC2)CCC(c2[nH]c3ccccc3c2CCc2ccncc2)(c2[nH]c3ccccc3c2CCc2ccncc2)CC1- InChIKey
CBISQFFYOFELJO-UHFFFAOYSA-N- Molecular formula
- C44H51N5
- Average molar mass
- 649.9 g/mol
Names & identifiers
- Preferred name
- 2,2'-(4-butyl-4-(pyrrolidin-1-yl)cyclohexan-1,1-diyl)bis(3-(2-(pyridin-4-yl)ethyl)-1H-indole)
- IUPAC
- 2-[4-butyl-1-[3-(2-pyridin-4-ylethyl)-1H-indol-2-yl]-4-pyrrolidin-1-ylcyclohexyl]-3-(2-pyridin-4-ylethyl)-1H-indole
Names & synonyms
SCHEMBL2197876CBISQFFYOFELJO-UHFFFAOYSA-N2,2'-(4-butyl-4-(pyrrolidin-1-yl)cyclohexan-1,1-diyl)bis(3-(2-(pyridin-4-yl)ethyl)-1H-indole)
Database identifiers
- PubChem CID
- 44517569
Properties
Computed structural propertiesFilling in
- XLogP
- 9.7
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 947
Related reactions
1 records
Compound notes
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