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

C115H150Ge3Ir3N6Si3-6 — CID 161255021

IUPACtris(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
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC[Ge](CC)(CC)c1cnc(-c2[c-]cccc2)cc1CC(C)C.CC[Ge](CC)(CC)c1cnc(-c2[c-]cccc2)cc1CC(C)C.CC[Ge](CC)(CC)c1cnc(-c2[c-]cccc2)cc1CC(C)C.C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir]
InChIInChI=1S/3C21H30GeN.C20H20NSi.C18H24NSi.C14H16NSi.3Ir/c3*1-6-22(7-2,8-3)20-16-23-21(15-19(20)14-17(4)5)18-12-10-9-11-13-18;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;/h3*9-12,15-17H,6-8,14H2,1-5H3;4-10,12-15H,1-3H3;6-9,12-14H,11H2,1-5H3;4-7,9-11H,1-3H3;;;/q6*-1;;;
InChIKeyXXMQIMKFZKGDFN-UHFFFAOYSA-N
MW2495.25 g/mol
LogP28.53
Rot. Bonds30

About 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

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 (PubChem CID 161255021) has the molecular formula C115H150Ge3Ir3N6Si3-6 and a molecular weight of 2495.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametris(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
PubChem CID161255021
Molecular FormulaC115H150Ge3Ir3N6Si3-6
Molecular Weight2495.25 g/mol
Exact Mass2499.78
IUPAC Nametris(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
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC[Ge](CC)(CC)c1cnc(-c2[c-]cccc2)cc1CC(C)C.CC[Ge](CC)(CC)c1cnc(-c2[c-]cccc2)cc1CC(C)C.CC[Ge](CC)(CC)c1cnc(-c2[c-]cccc2)cc1CC(C)C.C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir]
InChIInChI=1S/3C21H30GeN.C20H20NSi.C18H24NSi.C14H16NSi.3Ir/c3*1-6-22(7-2,8-3)20-16-23-21(15-19(20)14-17(4)5)18-12-10-9-11-13-18;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;/h3*9-12,15-17H,6-8,14H2,1-5H3;4-10,12-15H,1-3H3;6-9,12-14H,11H2,1-5H3;4-7,9-11H,1-3H3;;;/q6*-1;;;
InChIKeyXXMQIMKFZKGDFN-UHFFFAOYSA-N
XLogP28.53
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002495.25
LogP ≤ 528.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

[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
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
[4-butyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(3,3-dimethylbutan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-hexyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);trimethyl-[4-pentyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 161471424
[6-(2H-[1]benzofuro[2,3-b]pyridin-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162498235
[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162498233
iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 140719874
[4-butan-2-yl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-cyclopentyl-6-(3,5-dimethylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;pentakis(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane;pentakis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 161316211
ethanol;iridium;iridium(3+);methanol;2-phenylpyridine;2-phenylpyridine;trifluoromethanesulfonic acid;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
CID 160553408
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);bis(2-phenyl-5-phenylselenopheno[2,3-c]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 162235422
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
bis(4-benzyl-5-methyl-2-phenylpyridine);4-benzyl-5-phenyl-2-phenylpyridine;tetrakis(iridium);3-methyl-2-phenyl-5-(2-phenylpropan-2-yl)pyridine;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
CID 163931023

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC[Ge](CC)(CC)c1cnc(-c2[c-]cccc2)cc1CC(C)C.CC[Ge](CC)(CC)c1cnc(-c2[c-]cccc2)cc1CC(C)C.CC[Ge](CC)(CC)c1cnc(-c2[c-]cccc2)cc1CC(C)C.C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].
What is the InChIKey of 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?
The InChIKey is XXMQIMKFZKGDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H30GeN.C20H20NSi.C18H24NSi.C14H16NSi.3Ir/c3*1-6-22(7-2,8-3)20-16-23-21(15-19(20)14-17(4)5)18-12-10-9-11-13-18;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;/h3*9-12,15-17H,6-8,14H2,1-5H3;4-10,12-15H,1-3H3;6-9,12-14H,11H2,1-5H3;4-7,9-11H,1-3H3;;;/q6*-1;;;.
What are the key properties of 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?
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 has a molecular weight of 2495.25 g/mol, XLogP of 28.53, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161255021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).