[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide

C50H46FIrN3O2Si-2 — CID 162708340

IUPAC[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide
SMILESC[Si](C)(C)c1ccc(-c2[c-]ccc3c2oc2cc(F)ccc23)nc1.Cc1cc2c(oc3c[c-]c(-c4cc(CC(C)C)ccn4)cc32)c(C(C)(C)c2ccccc2)n1.[Ir]
InChIInChI=1S/C30H29N2O.C20H17FNOSi.Ir/c1-19(2)15-21-13-14-31-26(17-21)22-11-12-27-24(18-22)25-16-20(3)32-29(28(25)33-27)30(4,5)23-9-7-6-8-10-23;1-24(2,3)14-8-10-18(22-12-14)17-6-4-5-16-15-9-7-13(21)11-19(15)23-20(16)17;/h6-10,12-14,16-19H,15H2,1-5H3;4-5,7-12H,1-3H3;/q2*-1;
InChIKeyIYHMZIFXEQXJJP-UHFFFAOYSA-N
MW960.24 g/mol
LogP12.81
Rot. Bonds7

About [6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide

[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide (PubChem CID 162708340) has the molecular formula C50H46FIrN3O2Si-2 and a molecular weight of 960.24 g/mol. Its IUPAC name is [6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide.

Molecular Properties

Compound Name[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide
PubChem CID162708340
Molecular FormulaC50H46FIrN3O2Si-2
Molecular Weight960.24 g/mol
Exact Mass960.30
IUPAC Name[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide
SMILESC[Si](C)(C)c1ccc(-c2[c-]ccc3c2oc2cc(F)ccc23)nc1.Cc1cc2c(oc3c[c-]c(-c4cc(CC(C)C)ccn4)cc32)c(C(C)(C)c2ccccc2)n1.[Ir]
InChIInChI=1S/C30H29N2O.C20H17FNOSi.Ir/c1-19(2)15-21-13-14-31-26(17-21)22-11-12-27-24(18-22)25-16-20(3)32-29(28(25)33-27)30(4,5)23-9-7-6-8-10-23;1-24(2,3)14-8-10-18(22-12-14)17-6-4-5-16-15-9-7-13(21)11-19(15)23-20(16)17;/h6-10,12-14,16-19H,15H2,1-5H3;4-5,7-12H,1-3H3;/q2*-1;
InChIKeyIYHMZIFXEQXJJP-UHFFFAOYSA-N
XLogP12.81
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.24
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide with MolForge

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Related Compounds

[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;2-[7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]pyridine
CID 162710288
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-2H-dibenzofuran-2-id-3-yl]pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane
CID 166578321
2-[8-[dideuterio(phenyl)methyl]-3H-dibenzofuran-3-id-4-yl]pyridine;[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 162709083
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium
CID 164711786
[4-[6-[4-(2,2-dimethylpropyl)-2-pyridinyl]-7H-dibenzofuran-7-id-3-yl]phenyl]-trimethylsilane;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 166576922
[6-(3-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[6-(2,6-dimethylphenyl)-2H-dibenzofuran-2-id-3-yl]-4-(2-methylpropyl)pyridine;iridium
CID 166573873
2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578231
2-(8-benzyl-3H-dibenzofuran-3-id-4-yl)-4-fluoropyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 162708889
[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-(2H-naphthalen-2-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine
CID 162709288
4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 162708359
4-(2,2-dimethylpropyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 166574728
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

Frequently Asked Questions

What is the IUPAC name of [6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide?
The IUPAC name of [6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide (CID 162708340) is [6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide.
What is the SMILES notation for [6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide?
The canonical SMILES for [6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide is C[Si](C)(C)c1ccc(-c2[c-]ccc3c2oc2cc(F)ccc23)nc1.Cc1cc2c(oc3c[c-]c(-c4cc(CC(C)C)ccn4)cc32)c(C(C)(C)c2ccccc2)n1.[Ir].
What is the InChIKey of [6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide?
The InChIKey is IYHMZIFXEQXJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N2O.C20H17FNOSi.Ir/c1-19(2)15-21-13-14-31-26(17-21)22-11-12-27-24(18-22)25-16-20(3)32-29(28(25)33-27)30(4,5)23-9-7-6-8-10-23;1-24(2,3)14-8-10-18(22-12-14)17-6-4-5-16-15-9-7-13(21)11-19(15)23-20(16)17;/h6-10,12-14,16-19H,15H2,1-5H3;4-5,7-12H,1-3H3;/q2*-1;.
What are the key properties of [6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide?
[6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide has a molecular weight of 960.24 g/mol, XLogP of 12.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium;3-methyl-6-[4-(2-methylpropyl)-2-pyridinyl]-1-(2-phenylpropan-2-yl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide is sourced from PubChem (CID 162708340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).