[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

C49H59IrN3OSi-2 — CID 155612125

IUPAC[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
SMILESCC(C)(C)Cc1cc(-c2[c-]cc(C3CCCCC3)cc2)ncc1[Si](C)(C)C.CC(c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1)C1CCCCC1.[Ir]
InChIInChI=1S/C25H36NSi.C24H23N2O.Ir/c1-25(2,3)17-22-16-23(26-18-24(22)27(4,5)6)21-14-12-20(13-15-21)19-10-8-7-9-11-19;1-16(17-7-3-2-4-8-17)18-12-14-25-22(15-18)21-10-5-9-19-20-11-6-13-26-24(20)27-23(19)21;/h12-14,16,18-19H,7-11,17H2,1-6H3;5-6,9,11-17H,2-4,7-8H2,1H3;/q2*-1;
InChIKeyLIQUFBXNMKCHLI-UHFFFAOYSA-N
MW926.33 g/mol
LogP13.25
Rot. Bonds7

About [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

[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 (PubChem CID 155612125) has the molecular formula C49H59IrN3OSi-2 and a molecular weight of 926.33 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID155612125
Molecular FormulaC49H59IrN3OSi-2
Molecular Weight926.33 g/mol
Exact Mass926.41
IUPAC Name[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
SMILESCC(C)(C)Cc1cc(-c2[c-]cc(C3CCCCC3)cc2)ncc1[Si](C)(C)C.CC(c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1)C1CCCCC1.[Ir]
InChIInChI=1S/C25H36NSi.C24H23N2O.Ir/c1-25(2,3)17-22-16-23(26-18-24(22)27(4,5)6)21-14-12-20(13-15-21)19-10-8-7-9-11-19;1-16(17-7-3-2-4-8-17)18-12-14-25-22(15-18)21-10-5-9-19-20-11-6-13-26-24(20)27-23(19)21;/h12-14,16,18-19H,7-11,17H2,1-6H3;5-6,9,11-17H,2-4,7-8H2,1H3;/q2*-1;
InChIKeyLIQUFBXNMKCHLI-UHFFFAOYSA-N
XLogP13.25
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.33
LogP ≤ 513.25
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-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 with MolForge

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Launch Full Analysis

Related Compounds

[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
[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
[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
CID 155610998
CID 155610998
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
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-(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
[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
4-cyclohexyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155612157
8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane)
CID 159780750
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine
CID 166576755

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)Cc1cc(-c2[c-]cc(C3CCCCC3)cc2)ncc1[Si](C)(C)C.CC(c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1)C1CCCCC1.[Ir].
What is the InChIKey of [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?
The InChIKey is LIQUFBXNMKCHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36NSi.C24H23N2O.Ir/c1-25(2,3)17-22-16-23(26-18-24(22)27(4,5)6)21-14-12-20(13-15-21)19-10-8-7-9-11-19;1-16(17-7-3-2-4-8-17)18-12-14-25-22(15-18)21-10-5-9-19-20-11-6-13-26-24(20)27-23(19)21;/h12-14,16,18-19H,7-11,17H2,1-6H3;5-6,9,11-17H,2-4,7-8H2,1H3;/q2*-1;.
What are the key properties of [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?
[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 has a molecular weight of 926.33 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 155612125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).