[dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

C42H41FGeIrN2SSi-2 — CID 165171338

IUPAC[dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
SMILESCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2sc2cc(-c4ccccc4F)ccc23)c1)[Ge](C)(C)C.[Ir]
InChIInChI=1S/C27H23FGeNS.C15H18NSi.Ir/c1-29(2,3)17-18-13-14-30-25(15-18)23-9-6-8-22-21-12-11-19(16-26(21)31-27(22)23)20-7-4-5-10-24(20)28;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h4-8,10-16H,17H2,1-3H3;5-8,10-11H,1-4H3;/q2*-1;/i17D2;;
InChIKeyYTNMLOUEWNLWRH-MXXAFVANSA-N
MW919.79 g/mol
LogP11.54
Rot. Bonds6

About [dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane

[dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (PubChem CID 165171338) has the molecular formula C42H41FGeIrN2SSi-2 and a molecular weight of 919.79 g/mol. Its IUPAC name is [dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Name[dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
PubChem CID165171338
Molecular FormulaC42H41FGeIrN2SSi-2
Molecular Weight919.79 g/mol
Exact Mass921.17
IUPAC Name[dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
SMILESCc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2sc2cc(-c4ccccc4F)ccc23)c1)[Ge](C)(C)C.[Ir]
InChIInChI=1S/C27H23FGeNS.C15H18NSi.Ir/c1-29(2,3)17-18-13-14-30-25(15-18)23-9-6-8-22-21-12-11-19(16-26(21)31-27(22)23)20-7-4-5-10-24(20)28;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h4-8,10-16H,17H2,1-3H3;5-8,10-11H,1-4H3;/q2*-1;/i17D2;;
InChIKeyYTNMLOUEWNLWRH-MXXAFVANSA-N
XLogP11.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.79
LogP ≤ 511.54
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

4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166574110
4-(2-deuteriopropan-2-yl)-2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 165170813
[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-[6-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7H-dibenzothiophen-7-id-3-yl]phenyl]-trimethylgermane;iridium
CID 166574833
4-(2-deuteriopropan-2-yl)-2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 165170984
4-(2-deuteriopropan-2-yl)-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 165170677
iridium;2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166576990
4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 165171233
[1-deuterio-1-[2-(7-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-pyridinyl]ethyl]-trimethylsilane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 165171557
iridium;4-methyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166573854
4-benzyl-2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;(4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium
CID 162708139
4-(2-cyclopentylpropan-2-yl)-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166573768
4-(cyclohexylmethyl)-2-[7-(2,5-difluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577959

Frequently Asked Questions

What is the IUPAC name of [dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?
The IUPAC name of [dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane (CID 165171338) is [dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for [dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?
The canonical SMILES for [dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C([2H])(c1ccnc(-c2[c-]ccc3c2sc2cc(-c4ccccc4F)ccc23)c1)[Ge](C)(C)C.[Ir].
What is the InChIKey of [dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?
The InChIKey is YTNMLOUEWNLWRH-MXXAFVANSA-N. The full InChI is InChI=1S/C27H23FGeNS.C15H18NSi.Ir/c1-29(2,3)17-18-13-14-30-25(15-18)23-9-6-8-22-21-12-11-19(16-26(21)31-27(22)23)20-7-4-5-10-24(20)28;1-12-10-14(13-8-6-5-7-9-13)16-11-15(12)17(2,3)4;/h4-8,10-16H,17H2,1-3H3;5-8,10-11H,1-4H3;/q2*-1;/i17D2;;.
What are the key properties of [dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane?
[dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane has a molecular weight of 919.79 g/mol, XLogP of 11.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dideuterio-[2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-4-pyridinyl]methyl]-trimethylgermane;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 165171338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).