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

C51H44IrN2OSi-2 — CID 162709282

IUPACiridium;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
SMILESCC(C)(c1ccccc1)c1c[c-]c(-c2cc3ccccc3cn2)c2oc3ccccc3c12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3ccccc3)c([Si](C)(C)C)cn2)cc1.[Ir]
InChIInChI=1S/C30H22NO.C21H22NSi.Ir/c1-30(2,22-12-4-3-5-13-22)25-17-16-23(26-18-20-10-6-7-11-21(20)19-31-26)29-28(25)24-14-8-9-15-27(24)32-29;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;/h3-15,17-19H,1-2H3;5-12,14-15H,1-4H3;/q2*-1;/i;1D3;
InChIKeyWWYRRSLLAVUBOP-ICMJTWPQSA-N
MW924.25 g/mol
LogP12.99
Rot. Bonds7

About 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

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 (PubChem CID 162709282) has the molecular formula C51H44IrN2OSi-2 and a molecular weight of 924.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameiridium;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
PubChem CID162709282
Molecular FormulaC51H44IrN2OSi-2
Molecular Weight924.25 g/mol
Exact Mass924.31
IUPAC Nameiridium;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
SMILESCC(C)(c1ccccc1)c1c[c-]c(-c2cc3ccccc3cn2)c2oc3ccccc3c12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3ccccc3)c([Si](C)(C)C)cn2)cc1.[Ir]
InChIInChI=1S/C30H22NO.C21H22NSi.Ir/c1-30(2,22-12-4-3-5-13-22)25-17-16-23(26-18-20-10-6-7-11-21(20)19-31-26)29-28(25)24-14-8-9-15-27(24)32-29;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;/h3-15,17-19H,1-2H3;5-12,14-15H,1-4H3;/q2*-1;/i;1D3;
InChIKeyWWYRRSLLAVUBOP-ICMJTWPQSA-N
XLogP12.99
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.25
LogP ≤ 512.99
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;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
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
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
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)-4-phenyl-5-(trideuteriomethyl)pyridine;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 156621854
4-(2-deuteriopropan-2-yl)-2-(1-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 164712661
iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;trimethyl-(1-phenyl-[1]benzofuro[3,2-c]pyridin-4-yl)silane
CID 155619246
[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
4-tert-butyl-2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[4-(trideuteriomethyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 164712072
iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577541
CID 176873897
CID 176873897
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(c1ccccc1)c1c[c-]c(-c2cc3ccccc3cn2)c2oc3ccccc3c12.[2H]C([2H])([2H])c1c[c-]c(-c2cc(-c3ccccc3)c([Si](C)(C)C)cn2)cc1.[Ir].
What is the InChIKey of 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?
The InChIKey is WWYRRSLLAVUBOP-ICMJTWPQSA-N. The full InChI is InChI=1S/C30H22NO.C21H22NSi.Ir/c1-30(2,22-12-4-3-5-13-22)25-17-16-23(26-18-20-10-6-7-11-21(20)19-31-26)29-28(25)24-14-8-9-15-27(24)32-29;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;/h3-15,17-19H,1-2H3;5-12,14-15H,1-4H3;/q2*-1;/i;1D3;.
What are the key properties of 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?
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 has a molecular weight of 924.25 g/mol, XLogP of 12.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162709282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).