[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium

C49H52IrN2SSi-2 — CID 169039433

IUPAC[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium
SMILESCc1ccc[c-]c1-c1cc(CC2CCCC2)c([Si](C)(C)C)cn1.Cc1cccc(C)c1-c1ccc2c(c1)sc1c[c-]c(-c3cc(C(C)C)ccn3)cc12.[Ir]
InChIInChI=1S/C28H24NS.C21H28NSi.Ir/c1-17(2)20-12-13-29-25(15-20)21-9-11-26-24(14-21)23-10-8-22(16-27(23)30-26)28-18(3)6-5-7-19(28)4;1-16-9-5-8-12-19(16)20-14-18(13-17-10-6-7-11-17)21(15-22-20)23(2,3)4;/h5-8,10-17H,1-4H3;5,8-9,14-15,17H,6-7,10-11,13H2,1-4H3;/q2*-1;
InChIKeyRDDQLZVBXPSPQF-UHFFFAOYSA-N
MW921.34 g/mol
LogP13.46
Rot. Bonds7

About [4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium

[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium (PubChem CID 169039433) has the molecular formula C49H52IrN2SSi-2 and a molecular weight of 921.34 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium.

Molecular Properties

Compound Name[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium
PubChem CID169039433
Molecular FormulaC49H52IrN2SSi-2
Molecular Weight921.34 g/mol
Exact Mass921.33
IUPAC Name[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium
SMILESCc1ccc[c-]c1-c1cc(CC2CCCC2)c([Si](C)(C)C)cn1.Cc1cccc(C)c1-c1ccc2c(c1)sc1c[c-]c(-c3cc(C(C)C)ccn3)cc12.[Ir]
InChIInChI=1S/C28H24NS.C21H28NSi.Ir/c1-17(2)20-12-13-29-25(15-20)21-9-11-26-24(14-21)23-10-8-22(16-27(23)30-26)28-18(3)6-5-7-19(28)4;1-16-9-5-8-12-19(16)20-14-18(13-17-10-6-7-11-17)21(15-22-20)23(2,3)4;/h5-8,10-17H,1-4H3;5,8-9,14-15,17H,6-7,10-11,13H2,1-4H3;/q2*-1;
InChIKeyRDDQLZVBXPSPQF-UHFFFAOYSA-N
XLogP13.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.34
LogP ≤ 513.46
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'}

Analyze [4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium with MolForge

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Related Compounds

[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium
CID 169039046
[4-(cyclopentylmethyl)-6-(3-propan-2-ylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 154591950
4-(2-deuteriopropan-2-yl)-2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 165170813
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(1-phenylethyl)pyridine
CID 166576345
4-[cyclohexyl(dideuterio)methyl]-2-[7-(4-phenylphenyl)-3H-dibenzothiophen-3-id-2-yl]pyridine;[6-[3-(1-deuteriocyclopentyl)benzene-6-id-1-yl]-4-(1,1-dideuterio-2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
CID 166578359
4-(cyclopentylmethyl)-2-[7-(3-phenylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166578209
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine
CID 166577811
4-(cyclohexylmethyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166578567
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine
CID 166574644
4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166574110
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 166574647
4-benzyl-2-(7-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;4-(cyclohexylmethyl)-5-methyl-2-phenylpyridine;iridium
CID 162709802

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium?
The IUPAC name of [4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium (CID 169039433) is [4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium.
What is the SMILES notation for [4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium?
The canonical SMILES for [4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium is Cc1ccc[c-]c1-c1cc(CC2CCCC2)c([Si](C)(C)C)cn1.Cc1cccc(C)c1-c1ccc2c(c1)sc1c[c-]c(-c3cc(C(C)C)ccn3)cc12.[Ir].
What is the InChIKey of [4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium?
The InChIKey is RDDQLZVBXPSPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24NS.C21H28NSi.Ir/c1-17(2)20-12-13-29-25(15-20)21-9-11-26-24(14-21)23-10-8-22(16-27(23)30-26)28-18(3)6-5-7-19(28)4;1-16-9-5-8-12-19(16)20-14-18(13-17-10-6-7-11-17)21(15-22-20)23(2,3)4;/h5-8,10-17H,1-4H3;5,8-9,14-15,17H,6-7,10-11,13H2,1-4H3;/q2*-1;.
What are the key properties of [4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium?
[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium has a molecular weight of 921.34 g/mol, XLogP of 13.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-2-yl]-4-propan-2-ylpyridine;iridium is sourced from PubChem (CID 169039433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).