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

C46H41FIrN2OSi-2 — CID 166578321

IUPAC4-(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
SMILESC[Si](C)(C)c1ccc(-c2[c-]ccc3ccccc23)nc1.[2H]C([2H])(c1ccnc(-c2[c-]cc3c(c2)oc2cc(-c4ccc(F)cc4)ccc23)c1)C(C)(C)C.[Ir]
InChIInChI=1S/C28H23FNO.C18H18NSi.Ir/c1-28(2,3)17-18-12-13-30-25(14-18)21-7-11-24-23-10-6-20(15-26(23)31-27(24)16-21)19-4-8-22(29)9-5-19;1-20(2,3)15-11-12-18(19-13-15)17-10-6-8-14-7-4-5-9-16(14)17;/h4-6,8-16H,17H2,1-3H3;4-9,11-13H,1-3H3;/q2*-1;/i17D2;;
InChIKeyQXALNSBAXGDSSL-MXXAFVANSA-N
MW879.16 g/mol
LogP12.09
Rot. Bonds5

About 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

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 (PubChem CID 166578321) has the molecular formula C46H41FIrN2OSi-2 and a molecular weight of 879.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID166578321
Molecular FormulaC46H41FIrN2OSi-2
Molecular Weight879.16 g/mol
Exact Mass879.27
IUPAC Name4-(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
SMILESC[Si](C)(C)c1ccc(-c2[c-]ccc3ccccc23)nc1.[2H]C([2H])(c1ccnc(-c2[c-]cc3c(c2)oc2cc(-c4ccc(F)cc4)ccc23)c1)C(C)(C)C.[Ir]
InChIInChI=1S/C28H23FNO.C18H18NSi.Ir/c1-28(2,3)17-18-12-13-30-25(14-18)21-7-11-24-23-10-6-20(15-26(23)31-27(24)16-21)19-4-8-22(29)9-5-19;1-20(2,3)15-11-12-18(19-13-15)17-10-6-8-14-7-4-5-9-16(14)17;/h4-6,8-16H,17H2,1-3H3;4-9,11-13H,1-3H3;/q2*-1;/i17D2;;
InChIKeyQXALNSBAXGDSSL-MXXAFVANSA-N
XLogP12.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.16
LogP ≤ 512.09
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'}

Analyze 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 with MolForge

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Related Compounds

4-(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]germane
CID 169038685
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575759
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
[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-(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
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-(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-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-fluorobenzene-6-id-1-yl)pyridine;1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
CID 170537668
iridium;4-methyl-2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578482
iridium;2-(7-phenyl-2H-dibenzofuran-2-id-3-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166573461
4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164712406
2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 164711756

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si](C)(C)c1ccc(-c2[c-]ccc3ccccc23)nc1.[2H]C([2H])(c1ccnc(-c2[c-]cc3c(c2)oc2cc(-c4ccc(F)cc4)ccc23)c1)C(C)(C)C.[Ir].
What is the InChIKey of 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?
The InChIKey is QXALNSBAXGDSSL-MXXAFVANSA-N. The full InChI is InChI=1S/C28H23FNO.C18H18NSi.Ir/c1-28(2,3)17-18-12-13-30-25(14-18)21-7-11-24-23-10-6-20(15-26(23)31-27(24)16-21)19-4-8-22(29)9-5-19;1-20(2,3)15-11-12-18(19-13-15)17-10-6-8-14-7-4-5-9-16(14)17;/h4-6,8-16H,17H2,1-3H3;4-9,11-13H,1-3H3;/q2*-1;/i17D2;;.
What are the key properties of 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?
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 has a molecular weight of 879.16 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166578321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).