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

C38H34IrN2Si-2 — CID 162709659

IUPAC2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])(c1ccccc1)c1cc(-c2ccccn2)[c-]cc1-c1ccccc1.[Ir]
InChIInChI=1S/C24H18N.C14H16NSi.Ir/c1-3-9-19(10-4-1)17-22-18-21(24-13-7-8-16-25-24)14-15-23(22)20-11-5-2-6-12-20;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-13,15-16,18H,17H2;4-7,9-11H,1-3H3;/q2*-1;/i17D2;;
InChIKeyWRRNPDXEIDVEGF-MXXAFVANSA-N
MW741.02 g/mol
LogP8.90
Rot. Bonds6

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

2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 162709659) has the molecular formula C38H34IrN2Si-2 and a molecular weight of 741.02 g/mol. Its IUPAC name is 2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Name2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID162709659
Molecular FormulaC38H34IrN2Si-2
Molecular Weight741.02 g/mol
Exact Mass741.23
IUPAC Name2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])(c1ccccc1)c1cc(-c2ccccn2)[c-]cc1-c1ccccc1.[Ir]
InChIInChI=1S/C24H18N.C14H16NSi.Ir/c1-3-9-19(10-4-1)17-22-18-21(24-13-7-8-16-25-24)14-15-23(22)20-11-5-2-6-12-20;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-13,15-16,18H,17H2;4-7,9-11H,1-3H3;/q2*-1;/i17D2;;
InChIKeyWRRNPDXEIDVEGF-MXXAFVANSA-N
XLogP8.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.02
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[6-[2-[dideuterio(phenyl)methyl]benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;4-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium
CID 162708389
5-[dideuterio(phenyl)methyl]-2-phenylpyridine;iridium;2-phenylpyridine
CID 162709590
2-[3-[dideuterio(phenyl)methyl]-4-fluorobenzene-6-id-1-yl]pyridine;iridium;trimethyl-[4-phenyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 162708437
4-[cyclopentyl(dideuterio)methyl]-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577689
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-[dideuterio(phenyl)methyl]-2-phenyl-5-(trideuteriomethyl)pyridine;iridium;4-phenyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 162707508
4-[dideuterio(phenyl)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;2-phenylpyridine
CID 162707434
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-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-(6-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 165171017
iridium;2-(3H-phenanthren-3-id-2-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 164792166
iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578426
iridium;2-(6-phenyl-2H-dibenzothiophen-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 171435938

Frequently Asked Questions

What is the IUPAC name of 2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of 2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 162709659) is 2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for 2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for 2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])(c1ccccc1)c1cc(-c2ccccn2)[c-]cc1-c1ccccc1.[Ir].
What is the InChIKey of 2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is WRRNPDXEIDVEGF-MXXAFVANSA-N. The full InChI is InChI=1S/C24H18N.C14H16NSi.Ir/c1-3-9-19(10-4-1)17-22-18-21(24-13-7-8-16-25-24)14-15-23(22)20-11-5-2-6-12-20;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-13,15-16,18H,17H2;4-7,9-11H,1-3H3;/q2*-1;/i17D2;;.
What are the key properties of 2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?
2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 741.02 g/mol, XLogP of 8.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[dideuterio(phenyl)methyl]-4-phenylbenzene-6-id-1-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 162709659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).