2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine

C36H28IrN2Si-2 — CID 153423280

IUPAC2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine
SMILESC[Si]1(C)c2ccccc2-c2cccc(-c3cc[c-]c(-c4ccccn4)c3)c21.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H20NSi.C11H8N.Ir/c1-27(2)24-15-4-3-11-21(24)22-13-8-12-20(25(22)27)18-9-7-10-19(17-18)23-14-5-6-16-26-23;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-9,11-17H,1-2H3;1-6,8-9H;/q2*-1;
InChIKeyRWZJDRYDXBBOSZ-UHFFFAOYSA-N
MW708.94 g/mol
LogP7.57
Rot. Bonds3

About 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine

2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine (PubChem CID 153423280) has the molecular formula C36H28IrN2Si-2 and a molecular weight of 708.94 g/mol. Its IUPAC name is 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine.

Molecular Properties

Compound Name2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine
PubChem CID153423280
Molecular FormulaC36H28IrN2Si-2
Molecular Weight708.94 g/mol
Exact Mass709.17
IUPAC Name2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine
SMILESC[Si]1(C)c2ccccc2-c2cccc(-c3cc[c-]c(-c4ccccn4)c3)c21.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H20NSi.C11H8N.Ir/c1-27(2)24-15-4-3-11-21(24)22-13-8-12-20(25(22)27)18-9-7-10-19(17-18)23-14-5-6-16-26-23;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-9,11-17H,1-2H3;1-6,8-9H;/q2*-1;
InChIKeyRWZJDRYDXBBOSZ-UHFFFAOYSA-N
XLogP7.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.94
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;3-methyl-2-phenylpyridine
CID 153423506
iridium;tris(2-phenylpyridine)
CID 23386734
[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine)
CID 163415532
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
iridium(3+);2-phenyl-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-4-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 162697648
2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140587213
bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);tris(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 160793818
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
4-[3,5-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59133577
iridium;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;2-phenylpyridine
CID 161320383
chlorozinc(1+);2-phenylpyridine
CID 59773311

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine?
The IUPAC name of 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine (CID 153423280) is 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine.
What is the SMILES notation for 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine?
The canonical SMILES for 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine is C[Si]1(C)c2ccccc2-c2cccc(-c3cc[c-]c(-c4ccccn4)c3)c21.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine?
The InChIKey is RWZJDRYDXBBOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20NSi.C11H8N.Ir/c1-27(2)24-15-4-3-11-21(24)22-13-8-12-20(25(22)27)18-9-7-10-19(17-18)23-14-5-6-16-26-23;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-9,11-17H,1-2H3;1-6,8-9H;/q2*-1;.
What are the key properties of 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine?
2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine has a molecular weight of 708.94 g/mol, XLogP of 7.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)benzene-6-id-1-yl]pyridine;iridium;2-phenylpyridine is sourced from PubChem (CID 153423280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).