EINECS 279-229-5

bis([9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium);bis(copper(1+));iron(2+);hexacyanide

CAS: 79665-42-2

Molecular Formula	`C62H62Cu2FeN10O6`
Molecular Weight	1226.2 g/mol
Topological Polar Surface Area	248.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	20
Rotatable Bonds	14
Exact Mass	1224.2795
Heavy Atoms	81
Complexity	821.0

Chemical Identifiers

CAS Number	79665-42-2
SMILES	`CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Cu+].[Cu+]`
InChIKey	`QJTHTIKJWBNCOV-UHFFFAOYSA-P`

📖 Product Overview

EINECS 279-229-5 (CAS: 79665-42-2) is a chemical compound with molecular formula C62H62Cu2FeN10O6 and molecular weight 1226.2 g/mol. Its IUPAC systematic name is bis([9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium);bis(copper(1+));iron(2+);hexacyanide. Topological Polar Surface Area 248.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 20 Rotatable Bonds 14 Exact Mass 1224.2795 Heavy Atoms 81 Complexity 821.0 InChI Key: QJTHTIKJWBNCOV-UHFFFAOYSA-P. SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Cu+].[Cu+].

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