iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

C38H32IrN2OSi-2 — CID 166578482

IUPACiridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]cc3c(c2)oc2cc(-c4ccccc4)ccc23)c1.[Ir]
InChIInChI=1S/C24H16NO.C14H16NSi.Ir/c1-16-11-12-25-22(13-16)19-8-10-21-20-9-7-18(17-5-3-2-4-6-17)14-23(20)26-24(21)15-19;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2-7,9-15H,1H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyBYHJXKHFWYMHJB-UHFFFAOYSA-N
MW752.99 g/mol
LogP9.52
Rot. Bonds4

About iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 166578482) has the molecular formula C38H32IrN2OSi-2 and a molecular weight of 752.99 g/mol. Its IUPAC name is iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Nameiridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID166578482
Molecular FormulaC38H32IrN2OSi-2
Molecular Weight752.99 g/mol
Exact Mass753.19
IUPAC Nameiridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]cc3c(c2)oc2cc(-c4ccccc4)ccc23)c1.[Ir]
InChIInChI=1S/C24H16NO.C14H16NSi.Ir/c1-16-11-12-25-22(13-16)19-8-10-21-20-9-7-18(17-5-3-2-4-6-17)14-23(20)26-24(21)15-19;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2-7,9-15H,1H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyBYHJXKHFWYMHJB-UHFFFAOYSA-N
XLogP9.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.99
LogP ≤ 59.52
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-(7-phenyl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166573461
4-(2-deuteriopropan-2-yl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578701
iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]silane
CID 164832475
iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 169038570
4-tert-butyl-2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 162710292
iridium;4-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578426
2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166577647
iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166576791
4-(2-deuteriopropan-2-yl)-2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577147
iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577806
2-(2H-dibenzofuran-2-id-3-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)
CID 162181234
[6-(3-deuteriobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)-5-(trideuteriomethyl)pyridine;iridium
CID 169039448

Frequently Asked Questions

What is the IUPAC name of iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 166578482) is iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1ccnc(-c2[c-]cc3c(c2)oc2cc(-c4ccccc4)ccc23)c1.[Ir].
What is the InChIKey of iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is BYHJXKHFWYMHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16NO.C14H16NSi.Ir/c1-16-11-12-25-22(13-16)19-8-10-21-20-9-7-18(17-5-3-2-4-6-17)14-23(20)26-24(21)15-19;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2-7,9-15H,1H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 752.99 g/mol, XLogP of 9.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 166578482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).