iridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

C50H48IrN2OSi-2 — CID 171724070

IUPACiridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cccc2c1oc1c(-c3cc(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)ccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C36H32NO.C14H16NSi.Ir/c1-22(2)31-19-27(25-12-7-6-8-13-25)20-32(23(3)4)34(31)26-17-18-37-33(21-26)30-16-10-15-29-28-14-9-11-24(5)35(28)38-36(29)30;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-15,17-23H,1-5H3;4-7,9-11H,1-3H3;/q2*-1;/i5D3;;
InChIKeyWORNKUQWRXPNKJ-YLSPSJLGSA-N
MW916.27 g/mol
LogP13.43
Rot. Bonds8

About iridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

iridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 171724070) has the molecular formula C50H48IrN2OSi-2 and a molecular weight of 916.27 g/mol. Its IUPAC name is iridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Nameiridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID171724070
Molecular FormulaC50H48IrN2OSi-2
Molecular Weight916.27 g/mol
Exact Mass916.34
IUPAC Nameiridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cccc2c1oc1c(-c3cc(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)ccn3)[c-]ccc12.[Ir]
InChIInChI=1S/C36H32NO.C14H16NSi.Ir/c1-22(2)31-19-27(25-12-7-6-8-13-25)20-32(23(3)4)34(31)26-17-18-37-33(21-26)30-16-10-15-29-28-14-9-11-24(5)35(28)38-36(29)30;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-15,17-23H,1-5H3;4-7,9-11H,1-3H3;/q2*-1;/i5D3;;
InChIKeyWORNKUQWRXPNKJ-YLSPSJLGSA-N
XLogP13.43
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.27
LogP ≤ 513.43
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-[8-phenyl-6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577198
4-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 171723980
iridium;trimethyl-[4-phenyl-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]germane;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164832485
4-(2-deuteriopropan-2-yl)-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575190
iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578500
4-(2-deuteriopropan-2-yl)-2-[6-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575526
[4-[3-fluoro-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-4-yl]phenyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164832358
CID 176817375
CID 176817375
CID 176823802
CID 176823802
2,4-bis[4-phenyl-2,6-di(propan-2-yl)phenyl]-6-(6-pyridin-2-yl-7H-dibenzofuran-7-id-3-yl)-1,3,5-triazine;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 169301807
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578223
8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-3-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164712500

Frequently Asked Questions

What is the IUPAC name of iridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of iridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 171724070) is iridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for iridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for iridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cccc2c1oc1c(-c3cc(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)ccn3)[c-]ccc12.[Ir].
What is the InChIKey of iridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is WORNKUQWRXPNKJ-YLSPSJLGSA-N. The full InChI is InChI=1S/C36H32NO.C14H16NSi.Ir/c1-22(2)31-19-27(25-12-7-6-8-13-25)20-32(23(3)4)34(31)26-17-18-37-33(21-26)30-16-10-15-29-28-14-9-11-24(5)35(28)38-36(29)30;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h6-15,17-23H,1-5H3;4-7,9-11H,1-3H3;/q2*-1;/i5D3;;.
What are the key properties of iridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
iridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 916.27 g/mol, XLogP of 13.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 171724070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).