bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine

C51H40Ga2IrN5O5- — CID 161110483

IUPACbis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine
SMILESCc1ccc2cccc(O[Ga](Oc3cccc4ccc(C)nc34)O[Ga](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)c2n1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.4C10H9NO.2Ga.Ir.O/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;;;/h1-6,8-9H;4*2-6,12H,1H3;;;;/q-1;;;;;2*+2;;/p-4
InChIKeyJCDZDFLLGLGMSH-UHFFFAOYSA-J
MW1134.57 g/mol
LogP11.26
Rot. Bonds11

About bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine

bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine (PubChem CID 161110483) has the molecular formula C51H40Ga2IrN5O5- and a molecular weight of 1134.57 g/mol. Its IUPAC name is bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine.

Molecular Properties

Compound Namebis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine
PubChem CID161110483
Molecular FormulaC51H40Ga2IrN5O5-
Molecular Weight1134.57 g/mol
Exact Mass1133.12
IUPAC Namebis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine
SMILESCc1ccc2cccc(O[Ga](Oc3cccc4ccc(C)nc34)O[Ga](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)c2n1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.4C10H9NO.2Ga.Ir.O/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;;;/h1-6,8-9H;4*2-6,12H,1H3;;;;/q-1;;;;;2*+2;;/p-4
InChIKeyJCDZDFLLGLGMSH-UHFFFAOYSA-J
XLogP11.26
TPSA110.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001134.57
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine with MolForge

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Related Compounds

tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282
iridium;tris(2-phenylpyridine)
CID 23386734
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
bis(10H-benzo[h]quinolin-10-ide);tetrakis(iridium(3+));bis(2-(4-methylbenzene-6-id-1-yl)pyridine);octakis(2-phenylpyridine)
CID 157371936
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074
chlorozinc(1+);2-phenylpyridine
CID 59773311
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
bis[(2-methylquinolin-8-yl)oxy]-(4-phenylphenoxy)gallane
CID 20679832
dichloroiridium(1+);tetrakis(2-phenylpyridine)
CID 175874187
10H-benzo[h]quinolin-10-ide;ethane;tris(iridium);2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine
CID 158596255
iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine
CID 164827189

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine?
The IUPAC name of bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine (CID 161110483) is bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine.
What is the SMILES notation for bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine?
The canonical SMILES for bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine is Cc1ccc2cccc(O[Ga](Oc3cccc4ccc(C)nc34)O[Ga](Oc3cccc4ccc(C)nc34)Oc3cccc4ccc(C)nc34)c2n1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine?
The InChIKey is JCDZDFLLGLGMSH-UHFFFAOYSA-J. The full InChI is InChI=1S/C11H8N.4C10H9NO.2Ga.Ir.O/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;;;/h1-6,8-9H;4*2-6,12H,1H3;;;;/q-1;;;;;2*+2;;/p-4.
What are the key properties of bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine?
bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine has a molecular weight of 1134.57 g/mol, XLogP of 11.26, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylquinolin-8-yl)oxy]gallanyloxy-bis[(2-methylquinolin-8-yl)oxy]gallane;iridium;2-phenylpyridine is sourced from PubChem (CID 161110483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).