4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide
Basic information
- CAS
41621-86-7- Standard SMILES
CCn1c(C)c(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c2ccccc21- InChIKey
SMKHTHNACHYZIM-UHFFFAOYSA-N- Molecular formula
- C30H24Cl4N2O2
- Average molar mass
- 586.3 g/mol
- Monoisotopic mass
- 584.059189
Names & identifiers
- Preferred name
- 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide
- IUPAC
- 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one
- English name
- 4,5,6,7-tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide
- Molecular formula
- C30H24Cl4N2O2
- Molecular weight
- 586.33576
Names & synonyms
EINECS 255-465-44,5,6,7-Tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalideOK9DB14PHGUNII-OK9DB14PHGDTXSID301944413,3-BIS(1-ETHYL-2-METHYL-3-INDOLYL)-4,5,6,7-TETRACHLOROPHTHALIDE4,5,6,7-TETRACHLORO-3,3-BIS(1-ETHYL-2-METHYL-1H-INDOL-3-YL)-1(3H)-ISOBENZOFURANONE1(3H)-ISOBENZOFURANONE, 4,5,6,7-TETRACHLORO-3,3-BIS(1-ETHYL-2-METHYL-1H-INDOL-3-YL)-RefChem:96390DTXCID40116932255-465-441621-86-7
Show more names
4,5,6,7-Tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)isobenzofuran-1(3H)-one
SCHEMBL10787452SMKHTHNACHYZIM-UHFFFAOYSA-NNS000310244,5,6,7-Tetrachloro-3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)-2-benzofuran-1(3H)-one
Database identifiers
- CAS
41621-86-7- PubChem CID
- 6451772
- DTXSID
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 36.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 865
Physicochemical properties
- FDA UNII
- 9 DB14PHG · OK9DB14PHG
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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