[6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium

C47H50IrN2OSi-2 — CID 166573873

IUPAC[6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium
SMILESCC(C)(C)c1cc[c-]c(-c2ccc([Si](C)(C)C)cn2)c1.Cc1cccc(C)c1-c1cccc2c1oc1cc(-c3cc(CC(C)C)ccn3)[c-]cc12.[Ir]
InChIInChI=1S/C29H26NO.C18H24NSi.Ir/c1-18(2)15-21-13-14-30-26(16-21)22-11-12-23-24-9-6-10-25(29(24)31-27(23)17-22)28-19(3)7-5-8-20(28)4;1-18(2,3)15-9-7-8-14(12-15)17-11-10-16(13-19-17)20(4,5)6;/h5-10,12-14,16-18H,15H2,1-4H3;7,9-13H,1-6H3;/q2*-1;
InChIKeyVAILIBFSGZCAHQ-UHFFFAOYSA-N
MW879.23 g/mol
LogP12.32
Rot. Bonds6

About [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium

[6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium (PubChem CID 166573873) has the molecular formula C47H50IrN2OSi-2 and a molecular weight of 879.23 g/mol. Its IUPAC name is [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium.

Molecular Properties

Compound Name[6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium
PubChem CID166573873
Molecular FormulaC47H50IrN2OSi-2
Molecular Weight879.23 g/mol
Exact Mass879.33
IUPAC Name[6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium
SMILESCC(C)(C)c1cc[c-]c(-c2ccc([Si](C)(C)C)cn2)c1.Cc1cccc(C)c1-c1cccc2c1oc1cc(-c3cc(CC(C)C)ccn3)[c-]cc12.[Ir]
InChIInChI=1S/C29H26NO.C18H24NSi.Ir/c1-18(2)15-21-13-14-30-26(16-21)22-11-12-23-24-9-6-10-25(29(24)31-27(23)17-22)28-19(3)7-5-8-20(28)4;1-18(2,3)15-9-7-8-14(12-15)17-11-10-16(13-19-17)20(4,5)6;/h5-10,12-14,16-18H,15H2,1-4H3;7,9-13H,1-6H3;/q2*-1;
InChIKeyVAILIBFSGZCAHQ-UHFFFAOYSA-N
XLogP12.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.23
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 166573986
2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine
CID 166573874
[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide
CID 162708340
[6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(3,5-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(3-methylbutan-2-yl)pyridine;iridium
CID 169038950
4-(2,2-dimethylpropyl)-2-(7-phenyl-6-propan-2-yl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578006
4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 166576736
4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 162708359
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[4-(2-methylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 155612635
4-(cyclopentylmethyl)-2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575064
[4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 166576922
[6-(4-benzylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;iridium
CID 162707405
4-(2,2-dimethylpropyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 166574728

Frequently Asked Questions

What is the IUPAC name of [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium?
The IUPAC name of [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium (CID 166573873) is [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium.
What is the SMILES notation for [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium?
The canonical SMILES for [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium is CC(C)(C)c1cc[c-]c(-c2ccc([Si](C)(C)C)cn2)c1.Cc1cccc(C)c1-c1cccc2c1oc1cc(-c3cc(CC(C)C)ccn3)[c-]cc12.[Ir].
What is the InChIKey of [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium?
The InChIKey is VAILIBFSGZCAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26NO.C18H24NSi.Ir/c1-18(2)15-21-13-14-30-26(16-21)22-11-12-23-24-9-6-10-25(29(24)31-27(23)17-22)28-19(3)7-5-8-20(28)4;1-18(2,3)15-9-7-8-14(12-15)17-11-10-16(13-19-17)20(4,5)6;/h5-10,12-14,16-18H,15H2,1-4H3;7,9-13H,1-6H3;/q2*-1;.
What are the key properties of [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium?
[6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium has a molecular weight of 879.23 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium is sourced from PubChem (CID 166573873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).