Indole, 2,3-bis(p-(2-(diethylamino)ethoxy)phenyl)-

HCID 22020

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Basic information

CAS: 5782-21-8
Standard SMILES: CCN(CC)CCOc1ccc(-c2[nH]c3ccccc3c2-c2ccc(OCCN(CC)CC)cc2)cc1
InChIKey: KOSAYSPEZLHSPX-UHFFFAOYSA-N
Molecular formula: C32H41N3O2
Average molar mass: 499.7 g/mol
Monoisotopic mass: 499.31987756

Names & identifiers

Preferred name: Indole, 2,3-bis(p-(2-(diethylamino)ethoxy)phenyl)-
IUPAC: 2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine

Names & synonyms

BRN 1556958INDOLE, 2,3-BIS(p-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-2,3-Bis(p-(2-(diethylamino)ethoxy)phenyl)indole5782-21-8DTXSID902065345-21-05-00444 (Beilstein Handbook Reference)RefChem:349162DTXCID20129025N,N'-[1H-Indole-2,3-diylbis(4,1-phenyleneoxyethane-2,1-diyl)]bis(N-ethylethan-1-amine)

Database identifiers

CAS: 5782-21-8
PubChem CID: 22020
DTXSID: DTXSID90206534

Properties

Computed structural properties

XLogP: 6.8
Topological polar surface area: 40.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 14
Heavy atoms: 37
Formal charge: 0
Complexity: 609

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