3-[2,4-Bis(diethylamino)phenyl]-3-(1-n-octyl-2-methyl-3-indolyl)phthalide

HCID 20523552
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Basic information

Standard SMILES
CCCCCCCCn1c(C)c(C2(c3ccc(N(CC)CC)cc3N(CC)CC)OC(=O)c3ccccc32)c2ccccc21
InChIKey
RIHVJEQIEMIWGD-UHFFFAOYSA-N
Molecular formula
C39H51N3O2
Average molar mass
593.8 g/mol

Names & identifiers

Preferred name
3-[2,4-Bis(diethylamino)phenyl]-3-(1-n-octyl-2-methyl-3-indolyl)phthalide
IUPAC
3-[2,4-bis(diethylamino)phenyl]-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one

Names & synonyms

SCHEMBL11256095RIHVJEQIEMIWGD-UHFFFAOYSA-N3-[2,4-bis(diethylamino)phenyl]-3-(1-n-octyl-2-methyl-3-indolyl)phthalide

Database identifiers

PubChem CID
20523552

Properties

Computed structural properties

XLogP
10.1
Topological polar surface area
37.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
15
Heavy atoms
44

Related reactions

2 records
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Compound notes

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