iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane

C50H65IrN2Si2- — CID 158744529

IUPACiridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane
SMILESC.C.CC(C)Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2cccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.[Ir]
InChIInChI=1S/C24H29NSi.C24H28NSi.2CH4.Ir/c2*1-18(2)14-22-16-23(25-17-24(22)26(3,4)5)21-13-9-12-20(15-21)19-10-7-6-8-11-19;;;/h6-13,15-18H,14H2,1-5H3;6-12,15-18H,14H2,1-5H3;2*1H4;/q;-1;;;
InChIKeyPUIHWWFGBDEHEH-UHFFFAOYSA-N
MW942.47 g/mol
LogP13.39
Rot. Bonds10

About iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane

iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane (PubChem CID 158744529) has the molecular formula C50H65IrN2Si2- and a molecular weight of 942.47 g/mol. Its IUPAC name is iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane.

Molecular Properties

Compound Nameiridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane
PubChem CID158744529
Molecular FormulaC50H65IrN2Si2-
Molecular Weight942.47 g/mol
Exact Mass942.43
IUPAC Nameiridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane
SMILESC.C.CC(C)Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2cccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.[Ir]
InChIInChI=1S/C24H29NSi.C24H28NSi.2CH4.Ir/c2*1-18(2)14-22-16-23(25-17-24(22)26(3,4)5)21-13-9-12-20(15-21)19-10-7-6-8-11-19;;;/h6-13,15-18H,14H2,1-5H3;6-12,15-18H,14H2,1-5H3;2*1H4;/q;-1;;;
InChIKeyPUIHWWFGBDEHEH-UHFFFAOYSA-N
XLogP13.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.47
LogP ≤ 513.39
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

tris(iridium);tris(triethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 161255021
bis(iridium);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 162235422
4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 162707969
trimethyl-[6-(3-phenylphenyl)-4-propyl-3-pyridinyl]silane
CID 140738883
iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane
CID 166018685
bis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;bis(4-(2-methylpropyl)-2-phenylpyridine)
CID 158115566
[6-(3-carbazol-9-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 139035258
tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine
CID 159542369
[6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(triethyl-[4-(2-methylpropyl)-6-(2,3,4,5-tetradeuteriobenzene-6-id-1-yl)-3-pyridinyl]germane);trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 160752804
tetrakis(iridium);4-(2-methylpropyl)-5-(1-methylsiletan-1-yl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(5-(1-methylsiletan-1-yl)-2-phenylpyridine);3-phenyl-5,6,7,8-tetrahydroisoquinoline;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane;trimethyl-[4-(2-methylpropyl)-6-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 158615833
4-tert-butyl-2-[3-[4-(3,5-diphenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-tert-butyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;tris(iridium);4-(2-methylpropyl)-2-[3-[4-(4-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine
CID 159848075
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

Frequently Asked Questions

What is the IUPAC name of iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane?
The IUPAC name of iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane (CID 158744529) is iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane.
What is the SMILES notation for iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane?
The canonical SMILES for iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane is C.C.CC(C)Cc1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2cccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.[Ir].
What is the InChIKey of iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane?
The InChIKey is PUIHWWFGBDEHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NSi.C24H28NSi.2CH4.Ir/c2*1-18(2)14-22-16-23(25-17-24(22)26(3,4)5)21-13-9-12-20(15-21)19-10-7-6-8-11-19;;;/h6-13,15-18H,14H2,1-5H3;6-12,15-18H,14H2,1-5H3;2*1H4;/q;-1;;;.
What are the key properties of iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane?
iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane has a molecular weight of 942.47 g/mol, XLogP of 13.39, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane is sourced from PubChem (CID 158744529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).