[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C44H51IrN3OSi-2 — CID 155611148

IUPAC[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
SMILESCC(C)Cc1cc(-c2[c-]cc(C(C)(C)C)cc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1cc(C2CCCCC2)ccn1
InChIInChI=1S/C22H19N2O.C22H32NSi.Ir/c1-2-6-15(7-3-1)16-11-13-23-20(14-16)19-9-4-8-17-18-10-5-12-24-22(18)25-21(17)19;1-16(2)13-18-14-20(23-15-21(18)24(6,7)8)17-9-11-19(12-10-17)22(3,4)5;/h4-5,8,10-15H,1-3,6-7H2;9,11-12,14-16H,13H2,1-8H3;/q2*-1;
InChIKeyZYOYOUBZYRQJBA-UHFFFAOYSA-N
MW858.21 g/mol
LogP11.48
Rot. Bonds6

About [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 155611148) has the molecular formula C44H51IrN3OSi-2 and a molecular weight of 858.21 g/mol. Its IUPAC name is [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

Compound Name[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
PubChem CID155611148
Molecular FormulaC44H51IrN3OSi-2
Molecular Weight858.21 g/mol
Exact Mass858.34
IUPAC Name[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
SMILESCC(C)Cc1cc(-c2[c-]cc(C(C)(C)C)cc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1cc(C2CCCCC2)ccn1
InChIInChI=1S/C22H19N2O.C22H32NSi.Ir/c1-2-6-15(7-3-1)16-11-13-23-20(14-16)19-9-4-8-17-18-10-5-12-24-22(18)25-21(17)19;1-16(2)13-18-14-20(23-15-21(18)24(6,7)8)17-9-11-19(12-10-17)22(3,4)5;/h4-5,8,10-15H,1-3,6-7H2;9,11-12,14-16H,13H2,1-8H3;/q2*-1;
InChIKeyZYOYOUBZYRQJBA-UHFFFAOYSA-N
XLogP11.48
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.21
LogP ≤ 511.48
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 [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium with MolForge

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Related Compounds

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 155611640
[6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;8-[4-(1-cyclohexylethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 155612125
8-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
CID 163823591
4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
CID 155610798
4-cyclohexyl-2-[7-(3,5-ditert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166573947
4-cyclohexyl-2-(9-naphthalen-1-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169039315
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 155611441
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 155612517
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 162776747
8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-dibenzofuran-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611194
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 155611501
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 155612078

Frequently Asked Questions

What is the IUPAC name of [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?
The IUPAC name of [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 155611148) is [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.
What is the SMILES notation for [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?
The canonical SMILES for [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is CC(C)Cc1cc(-c2[c-]cc(C(C)(C)C)cc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ncccc32)c1-c1cc(C2CCCCC2)ccn1.
What is the InChIKey of [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?
The InChIKey is ZYOYOUBZYRQJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N2O.C22H32NSi.Ir/c1-2-6-15(7-3-1)16-11-13-23-20(14-16)19-9-4-8-17-18-10-5-12-24-22(18)25-21(17)19;1-16(2)13-18-14-20(23-15-21(18)24(6,7)8)17-9-11-19(12-10-17)22(3,4)5;/h4-5,8,10-15H,1-3,6-7H2;9,11-12,14-16H,13H2,1-8H3;/q2*-1;.
What are the key properties of [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?
[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 858.21 g/mol, XLogP of 11.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 155611148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).