N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide
Basic information
- CAS
81253-94-3- Standard SMILES
CC[N+](C)(CC)CCCC(C)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(C(C)CCC[N+](C)(CC)CC)C3=O.[I-].[I-]- InChIKey
NXJPCXMRUGNNLX-UHFFFAOYSA-L- Molecular formula
- C34H50I2N4O4
- Average molar mass
- 832.6 g/mol
- Monoisotopic mass
- 832.19215
Names & identifiers
- Preferred name
- N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide
- IUPAC
- 4-[13-[5-[diethyl(methyl)azaniumyl]pentan-2-yl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]pentyl-diethyl-methylazanium diiodide
Names & synonyms
81253-94-3N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodideDTXSID501001874Benzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium, N,N,N',N'-tetraethyl-1,3,6,8-tetraoxo-, diiodide4,4'-(1,3,6,8-Tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)bis(N,N-diethyl-N-methylpentan-1-aminium) diiodide
Database identifiers
- CAS
81253-94-3- PubChem CID
- 157455
- DTXSID
DTXSID501001874
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 893
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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