ISDA: 1JZJ

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: LOS

IUPAC Name: LAMBDA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE OSMIUM (II)

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1cc[n]2->[Os@OH21]3(<-[n]4ccccc4-c2c1)(<-[n]1ccccc1-c1cccc[n]->31)<-[n-]1ccnc1

InChI: ?

InChI Key: ?

Physiochemical Descriptor:

Formula: C23 H19 N6 Os

Molecular weight: 569.667

Hydrogen Bond Acceptor: 5

Hydrogen Bond Donor: 0

Rotatable Bonds: 2

Heavy Atoms: 30

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1H-imidazol-1-yl)osmium(2+)

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1ccn(c1)[Os+2]73(n4c(c2ccccn23)cccc4)n5ccccc5c6ccccn67
InChI	InChI	1.03	InChI=1S/2C10H8N2.C3H3N2.Os/c21-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-5-3-4-1;/h21-8H;1-3H;/q;;-1;+3
InChIKey	InChI	1.03	LHAHECCJWGXHOW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	[Os++]\|1\|2(\|n3ccccc3c4ccccn\|14)(\|n5ccccc5c6ccccn\|26)n7ccnc7
SMILES	CACTVS	3.370	[Os++]\|1\|2(\|n3ccccc3c4ccccn\|14)(\|n5ccccc5c6ccccn\|26)n7ccnc7
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37
SMILES	OpenEye OEToolkits	1.7.2	c1cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=[N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37