ISDA: 5E1U

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: RIR

IUPAC Name: [(1,2,3,4,5-Eta)-1,2,3,4,5-Pentamethylcyclopentadienyl]iridium(III)

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: [c-]1cccc1

InChI: ?

InChI Key: ?

Physiochemical Descriptor:

Formula: C10 H15 Ir

Molecular weight: 327.443

Hydrogen Bond Acceptor: 0

Hydrogen Bond Donor: 0

Rotatable Bonds: 5

Heavy Atoms: 11

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]iridium

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[Ir]1234C5(=C1(C2(C3(=C45C)C)C)C)C
InChI	InChI	1.03	InChI=1S/C10H15.Ir/c1-6-7(2)9(4)10(5)8(6)3;/h1-5H3;
InChIKey	InChI	1.03	VPSULBJUKFCKKU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1=C(C)C(C)([Ir])C(=C1C)C
SMILES	CACTVS	3.385	CC1=C(C)C(C)([Ir])C(=C1C)C
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CC12=C3([Ir]145C2(=C4(C53C)C)C)C
SMILES	OpenEye OEToolkits	1.9.2	CC12=C3([Ir]145C2(=C4(C53C)C)C)C