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

C47H42IrN2OSi-2 — CID 162707828

IUPACiridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane
SMILESCC(C)(c1ccccc1)c1c[c-]c(-c2ccccn2)c2oc3ccccc3c12.Cc1c[c-]c(-c2cc(-c3ccccc3)c([Si](C)(C)C)cn2)cc1.[Ir]
InChIInChI=1S/C26H20NO.C21H22NSi.Ir/c1-26(2,18-10-4-3-5-11-18)21-16-15-19(22-13-8-9-17-27-22)25-24(21)20-12-6-7-14-23(20)28-25;1-16-10-12-18(13-11-16)20-14-19(17-8-6-5-7-9-17)21(15-22-20)23(2,3)4;/h3-14,16-17H,1-2H3;5-12,14-15H,1-4H3;/q2*-1;
InChIKeyWZQWIONQRCYNSB-UHFFFAOYSA-N
MW871.17 g/mol
LogP11.84
Rot. Bonds6

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

iridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane (PubChem CID 162707828) has the molecular formula C47H42IrN2OSi-2 and a molecular weight of 871.17 g/mol. Its IUPAC name is iridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane.

Molecular Properties

Compound Nameiridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane
PubChem CID162707828
Molecular FormulaC47H42IrN2OSi-2
Molecular Weight871.17 g/mol
Exact Mass871.27
IUPAC Nameiridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane
SMILESCC(C)(c1ccccc1)c1c[c-]c(-c2ccccn2)c2oc3ccccc3c12.Cc1c[c-]c(-c2cc(-c3ccccc3)c([Si](C)(C)C)cn2)cc1.[Ir]
InChIInChI=1S/C26H20NO.C21H22NSi.Ir/c1-26(2,18-10-4-3-5-11-18)21-16-15-19(22-13-8-9-17-27-22)25-24(21)20-12-6-7-14-23(20)28-25;1-16-10-12-18(13-11-16)20-14-19(17-8-6-5-7-9-17)21(15-22-20)23(2,3)4;/h3-14,16-17H,1-2H3;5-12,14-15H,1-4H3;/q2*-1;
InChIKeyWZQWIONQRCYNSB-UHFFFAOYSA-N
XLogP11.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.17
LogP ≤ 511.84
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

iridium;3-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]isoquinoline;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 162709282
2-(3H-dibenzofuran-3-id-4-yl)-4-(2-phenylpropan-2-yl)pyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane
CID 162710240
iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577541
2-(3H-dibenzofuran-3-id-2-yl)-4-(1-phenylethyl)pyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane
CID 162709035
[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine
CID 162709139
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;2-(4-naphtho[2,1-b][1]benzofuran-4-yl-2-phenylbenzene-6-id-1-yl)pyridine
CID 172506787
4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 164797511
4-tert-butyl-2-(1-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 164711779
2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 156686699
2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;iridium;trimethyl-[6-[4-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 162707338
4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[4-benzyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 162709677
1-[dideuterio(phenyl)methyl]-4-isoquinolin-3-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;iridium;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 162708691

Frequently Asked Questions

What is the IUPAC name of iridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane?
The IUPAC name of iridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane (CID 162707828) is iridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane.
What is the SMILES notation for iridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane?
The canonical SMILES for iridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane is CC(C)(c1ccccc1)c1c[c-]c(-c2ccccn2)c2oc3ccccc3c12.Cc1c[c-]c(-c2cc(-c3ccccc3)c([Si](C)(C)C)cn2)cc1.[Ir].
What is the InChIKey of iridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane?
The InChIKey is WZQWIONQRCYNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20NO.C21H22NSi.Ir/c1-26(2,18-10-4-3-5-11-18)21-16-15-19(22-13-8-9-17-27-22)25-24(21)20-12-6-7-14-23(20)28-25;1-16-10-12-18(13-11-16)20-14-19(17-8-6-5-7-9-17)21(15-22-20)23(2,3)4;/h3-14,16-17H,1-2H3;5-12,14-15H,1-4H3;/q2*-1;.
What are the key properties of iridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane?
iridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane has a molecular weight of 871.17 g/mol, XLogP of 11.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[1-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 162707828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).