iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

C42H49IrN3OSi-2 — CID 155610573

IUPACiridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
SMILESCC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCC(C)(CC)c1ccnc(-c2[c-]ccc3c2oc2nc(C(C)C)ccc23)c1.[Ir]
InChIInChI=1S/C25H27N2O.C17H22NSi.Ir/c1-6-25(5,7-2)17-13-14-26-22(15-17)20-10-8-9-18-19-11-12-21(16(3)4)27-24(19)28-23(18)20;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h8-9,11-16H,6-7H2,1-5H3;6-9,11-13H,1-5H3;/q2*-1;
InChIKeyPWXNBIHRRVAYNB-UHFFFAOYSA-N
MW832.18 g/mol
LogP11.26
Rot. Bonds8

About iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (PubChem CID 155610573) has the molecular formula C42H49IrN3OSi-2 and a molecular weight of 832.18 g/mol. Its IUPAC name is iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.

Molecular Properties

Compound Nameiridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
PubChem CID155610573
Molecular FormulaC42H49IrN3OSi-2
Molecular Weight832.18 g/mol
Exact Mass832.33
IUPAC Nameiridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
SMILESCC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCC(C)(CC)c1ccnc(-c2[c-]ccc3c2oc2nc(C(C)C)ccc23)c1.[Ir]
InChIInChI=1S/C25H27N2O.C17H22NSi.Ir/c1-6-25(5,7-2)17-13-14-26-22(15-17)20-10-8-9-18-19-11-12-21(16(3)4)27-24(19)28-23(18)20;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h8-9,11-16H,6-7H2,1-5H3;6-9,11-13H,1-5H3;/q2*-1;
InChIKeyPWXNBIHRRVAYNB-UHFFFAOYSA-N
XLogP11.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.18
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane with MolForge

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Launch Full Analysis

Related Compounds

8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155611899
iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611465
iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155611331
8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155611207
8-(4-tert-butyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-methyl-2-pyridinyl)-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
CID 160852920
8-(4-tert-butyl-2-pyridinyl)-2,5-dimethyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155611716
4-tert-butyl-2-[7-(2,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166574144
iridium;2-(2-phenylpropan-2-yl)-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
CID 162708560
2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 176593438
8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 155612333
8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 162776962
4-tert-butyl-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 164711932

Frequently Asked Questions

What is the IUPAC name of iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The IUPAC name of iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (CID 155610573) is iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.
What is the SMILES notation for iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The canonical SMILES for iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is CC(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CCC(C)(CC)c1ccnc(-c2[c-]ccc3c2oc2nc(C(C)C)ccc23)c1.[Ir].
What is the InChIKey of iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The InChIKey is PWXNBIHRRVAYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N2O.C17H22NSi.Ir/c1-6-25(5,7-2)17-13-14-26-22(15-17)20-10-8-9-18-19-11-12-21(16(3)4)27-24(19)28-23(18)20;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h8-9,11-16H,6-7H2,1-5H3;6-9,11-13H,1-5H3;/q2*-1;.
What are the key properties of iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane has a molecular weight of 832.18 g/mol, XLogP of 11.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is sourced from PubChem (CID 155610573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).