2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine

C35H25IrN5OSi-2 — CID 153492987

IUPAC2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine
SMILESC[Si]1(C)c2ccc(-c3cccnc3)cc2-c2cc[c-]c(-c3ccccn3)c21.[Ir].[c-]1ncccc1-c1noc2ccncc12
InChIInChI=1S/C24H19N2Si.C11H6N3O.Ir/c1-27(2)23-12-11-17(18-7-6-13-25-16-18)15-21(23)19-8-5-9-20(24(19)27)22-10-3-4-14-26-22;1-2-8(6-12-4-1)11-9-7-13-5-3-10(9)15-14-11;/h3-8,10-16H,1-2H3;1-5,7H;/q2*-1;
InChIKeyMLHVWKICLQZIJJ-UHFFFAOYSA-N
MW751.92 g/mol
LogP6.50
Rot. Bonds3

About 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine

2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 153492987) has the molecular formula C35H25IrN5OSi-2 and a molecular weight of 751.92 g/mol. Its IUPAC name is 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine
PubChem CID153492987
Molecular FormulaC35H25IrN5OSi-2
Molecular Weight751.92 g/mol
Exact Mass752.15
IUPAC Name2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine
SMILESC[Si]1(C)c2ccc(-c3cccnc3)cc2-c2cc[c-]c(-c3ccccn3)c21.[Ir].[c-]1ncccc1-c1noc2ccncc12
InChIInChI=1S/C24H19N2Si.C11H6N3O.Ir/c1-27(2)23-12-11-17(18-7-6-13-25-16-18)15-21(23)19-8-5-9-20(24(19)27)22-10-3-4-14-26-22;1-2-8(6-12-4-1)11-9-7-13-5-3-10(9)15-14-11;/h3-8,10-16H,1-2H3;1-5,7H;/q2*-1;
InChIKeyMLHVWKICLQZIJJ-UHFFFAOYSA-N
XLogP6.50
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.92
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine with MolForge

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Related Compounds

iridium;3-phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine;1-pyridin-2-yl-6,9-bis(trifluoromethyl)-2H-carbazol-2-ide
CID 153492947
4-Methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridine
CID 144028825
iridium;1-(3-propan-2-ylbenzene-6-id-1-yl)isoquinoline;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine
CID 153492945
iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(8-pyridin-3-yl-3H-dibenzoselenophen-3-id-4-yl)pyridine
CID 153492975
iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine
CID 153492978
Iridium;5-phenyl-3-(3-phenylbenzene-6-id-1-yl)-1,2-benzoxazole;2-phenyl-4-pyridin-3-ylpyridine
CID 153493014
iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-[1,2]oxazolo[4,5-c]pyridine
CID 153493040
Iridium;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole
CID 153493051
2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole
CID 153493068
2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;iridium;3-phenyl-[1,2]oxazolo[4,5-c]pyridine
CID 153493092
3-Methyl-6-phenyl-[1,2]oxazolo[4,5-c]pyridine
CID 102327968
3-Phenyl-6-pyridin-3-yl-[1,2]oxazolo[4,5-c]pyridine
CID 153492948

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine (CID 153492987) is 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine is C[Si]1(C)c2ccc(-c3cccnc3)cc2-c2cc[c-]c(-c3ccccn3)c21.[Ir].[c-]1ncccc1-c1noc2ccncc12.
What is the InChIKey of 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is MLHVWKICLQZIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N2Si.C11H6N3O.Ir/c1-27(2)23-12-11-17(18-7-6-13-25-16-18)15-21(23)19-8-5-9-20(24(19)27)22-10-3-4-14-26-22;1-2-8(6-12-4-1)11-9-7-13-5-3-10(9)15-14-11;/h3-8,10-16H,1-2H3;1-5,7H;/q2*-1;.
What are the key properties of 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine?
2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 751.92 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-8-pyridin-3-yl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;iridium;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 153492987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).