iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane

C41H38IrN2SSi-2 — CID 162708543

IUPACiridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane
SMILESCC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)c2sc3ccccc3c12.[Ir]
InChIInChI=1S/C21H20NSSi.C20H18N.Ir/c1-14-9-11-16(18-12-10-15(13-22-18)24(2,3)4)21-20(14)17-7-5-6-8-19(17)23-21;1-20(2,17-11-7-4-8-12-17)18-13-14-21-19(15-18)16-9-5-3-6-10-16;/h5-10,12-13H,1-4H3;3-9,11-15H,1-2H3;/q2*-1;
InChIKeyZBWXMDRAUDOQEH-UHFFFAOYSA-N
MW811.14 g/mol
LogP10.64
Rot. Bonds5

About iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane

iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane (PubChem CID 162708543) has the molecular formula C41H38IrN2SSi-2 and a molecular weight of 811.14 g/mol. Its IUPAC name is iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Nameiridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane
PubChem CID162708543
Molecular FormulaC41H38IrN2SSi-2
Molecular Weight811.14 g/mol
Exact Mass811.22
IUPAC Nameiridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane
SMILESCC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)c2sc3ccccc3c12.[Ir]
InChIInChI=1S/C21H20NSSi.C20H18N.Ir/c1-14-9-11-16(18-12-10-15(13-22-18)24(2,3)4)21-20(14)17-7-5-6-8-19(17)23-21;1-20(2,17-11-7-4-8-12-17)18-13-14-21-19(15-18)16-9-5-3-6-10-16;/h5-10,12-13H,1-4H3;3-9,11-15H,1-2H3;/q2*-1;
InChIKeyZBWXMDRAUDOQEH-UHFFFAOYSA-N
XLogP10.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.14
LogP ≤ 510.64
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

4-(1-deuterio-1-phenylethyl)-2-phenylpyridine;iridium;trimethyl-[6-[1-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]-3-pyridinyl]silane
CID 177279344
2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164712811
iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 162707675
4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166577448
4-tert-butyl-2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162710292
2-(3H-dibenzothiophen-3-id-4-yl)-5-(2-phenylpropan-2-yl)pyridine;iridium;4-phenyl-2-phenylpyridine
CID 162708577
[4-[4-[dideuterio-(3,5-dimethylphenyl)methyl]-2-pyridinyl]-3H-dibenzothiophen-3-id-1-yl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 165171510
4-benzyl-2-(7,9-dimethyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane
CID 162709036
4-tert-butyl-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166576059
4-(2-cyclopentylpropan-2-yl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166575437
iridium;2-phenyl-4-propan-2-ylpyridine;trimethyl-(4-pyridin-2-yl-3H-dibenzothiophen-3-id-1-yl)silane
CID 155608304
iridium;5-methyl-2-phenylpyridine;trimethyl-[4-(5-methyl-2-pyridinyl)-3H-dibenzothiophen-3-id-1-yl]silane
CID 155608926

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane?
The IUPAC name of iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane (CID 162708543) is iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane.
What is the SMILES notation for iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane?
The canonical SMILES for iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane is CC(C)(c1ccccc1)c1ccnc(-c2[c-]cccc2)c1.Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)c2sc3ccccc3c12.[Ir].
What is the InChIKey of iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane?
The InChIKey is ZBWXMDRAUDOQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20NSSi.C20H18N.Ir/c1-14-9-11-16(18-12-10-15(13-22-18)24(2,3)4)21-20(14)17-7-5-6-8-19(17)23-21;1-20(2,17-11-7-4-8-12-17)18-13-14-21-19(15-18)16-9-5-3-6-10-16;/h5-10,12-13H,1-4H3;3-9,11-15H,1-2H3;/q2*-1;.
What are the key properties of iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane?
iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane has a molecular weight of 811.14 g/mol, XLogP of 10.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(1-methyl-3H-dibenzothiophen-3-id-4-yl)-3-pyridinyl]silane is sourced from PubChem (CID 162708543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).