4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

C52H52IrN2OSi-2 — CID 166576736

IUPAC4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
SMILESCC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.Cc1cc(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)[c-]cc1-c1ccccc1.[Ir]
InChIInChI=1S/C27H22NO.C25H30NSi.Ir/c1-27(2,3)20-14-15-28-24(17-20)23-11-7-10-22-21-13-12-19(16-25(21)29-26(22)23)18-8-5-4-6-9-18;1-18(2)14-22-16-24(26-17-25(22)27(4,5)6)21-12-13-23(19(3)15-21)20-10-8-7-9-11-20;/h4-10,12-17H,1-3H3;7-11,13,15-18H,14H2,1-6H3;/q2*-1;
InChIKeyLWZCHOWWIPQWLL-UHFFFAOYSA-N
MW941.30 g/mol
LogP13.68
Rot. Bonds7

About 4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (PubChem CID 166576736) has the molecular formula C52H52IrN2OSi-2 and a molecular weight of 941.30 g/mol. Its IUPAC name is 4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.

Molecular Properties

Compound Name4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
PubChem CID166576736
Molecular FormulaC52H52IrN2OSi-2
Molecular Weight941.30 g/mol
Exact Mass941.35
IUPAC Name4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
SMILESCC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.Cc1cc(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)[c-]cc1-c1ccccc1.[Ir]
InChIInChI=1S/C27H22NO.C25H30NSi.Ir/c1-27(2,3)20-14-15-28-24(17-20)23-11-7-10-22-21-13-12-19(16-25(21)29-26(22)23)18-8-5-4-6-9-18;1-18(2)14-22-16-24(26-17-25(22)27(4,5)6)21-12-13-23(19(3)15-21)20-10-8-7-9-11-20;/h4-10,12-17H,1-3H3;7-11,13,15-18H,14H2,1-6H3;/q2*-1;
InChIKeyLWZCHOWWIPQWLL-UHFFFAOYSA-N
XLogP13.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.30
LogP ≤ 513.68
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-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166574064
[4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 166575144
iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
CID 166575463
2-(7-tert-butyl-3H-dibenzofuran-3-id-4-yl)-1-(4-tert-butyl-2-phenylphenyl)benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 156657113
[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-(1,1-dideuterio-2-methylpropyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166575258
2-[7-(3-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-pentan-3-ylpyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166575327
4-tert-butyl-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane
CID 164712176
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine
CID 166576755
[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(trideuteriomethyl)pyridine
CID 166576810
iridium;4-(1-phenylethyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166575688
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 162776747

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?
The IUPAC name of 4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (CID 166576736) is 4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.
What is the SMILES notation for 4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?
The canonical SMILES for 4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is CC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.Cc1cc(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)[c-]cc1-c1ccccc1.[Ir].
What is the InChIKey of 4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?
The InChIKey is LWZCHOWWIPQWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22NO.C25H30NSi.Ir/c1-27(2,3)20-14-15-28-24(17-20)23-11-7-10-22-21-13-12-19(16-25(21)29-26(22)23)18-8-5-4-6-9-18;1-18(2)14-22-16-24(26-17-25(22)27(4,5)6)21-12-13-23(19(3)15-21)20-10-8-7-9-11-20;/h4-10,12-17H,1-3H3;7-11,13,15-18H,14H2,1-6H3;/q2*-1;.
What are the key properties of 4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?
4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane has a molecular weight of 941.30 g/mol, XLogP of 13.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is sourced from PubChem (CID 166576736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).