[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium

C52H41F2GeIrN3S-2 — CID 156660435

IUPAC[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium
SMILESFc1ccccc1-c1ccc2c(c1)sc1c(-c3nc4cccc(F)c4n3-c3ccc4ccccc4c3)[c-]ccc12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C35H19F2N2S.C17H22GeN.Ir/c36-29-12-4-3-9-25(29)23-16-18-26-27-10-5-11-28(34(27)40-32(26)20-23)35-38-31-14-6-13-30(37)33(31)39(35)24-17-15-21-7-1-2-8-22(21)19-24;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h1-10,12-20H;6-9,11-13H,1-5H3;/q2*-1;/i;13D;
InChIKeyZAVPTKFNDNWNLK-LTBAMTPYSA-N
MW1043.82 g/mol
LogP14.17
Rot. Bonds6

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium (PubChem CID 156660435) has the molecular formula C52H41F2GeIrN3S-2 and a molecular weight of 1043.82 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium.

Molecular Properties

Compound Name[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium
PubChem CID156660435
Molecular FormulaC52H41F2GeIrN3S-2
Molecular Weight1043.82 g/mol
Exact Mass1045.19
IUPAC Name[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium
SMILESFc1ccccc1-c1ccc2c(c1)sc1c(-c3nc4cccc(F)c4n3-c3ccc4ccccc4c3)[c-]ccc12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C35H19F2N2S.C17H22GeN.Ir/c36-29-12-4-3-9-25(29)23-16-18-26-27-10-5-11-28(34(27)40-32(26)20-23)35-38-31-14-6-13-30(37)33(31)39(35)24-17-15-21-7-1-2-8-22(21)19-24;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h1-10,12-20H;6-9,11-13H,1-5H3;/q2*-1;/i;13D;
InChIKeyZAVPTKFNDNWNLK-LTBAMTPYSA-N
XLogP14.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.82
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium
CID 156672371
[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium
CID 156671374
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)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 162776935
4-(2-deuteriopropan-2-yl)-2-(3H-dibenzothiophen-3-id-4-yl)-5-fluoropyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 164712996
[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide
CID 156668256
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium
CID 156660049
CID 156657486
CID 156657486
8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156670860
3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658147
4-(2-deuteriopropan-2-yl)-2-[7-(2-methylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 165170595
4,5-bis(2-deuteriopropan-2-yl)-2-(3-methoxy-9H-naphtho[1,2-b][1]benzothiol-9-id-10-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 165171514

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium?
The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium (CID 156660435) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium.
What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium?
The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium is Fc1ccccc1-c1ccc2c(c1)sc1c(-c3nc4cccc(F)c4n3-c3ccc4ccccc4c3)[c-]ccc12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].
What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium?
The InChIKey is ZAVPTKFNDNWNLK-LTBAMTPYSA-N. The full InChI is InChI=1S/C35H19F2N2S.C17H22GeN.Ir/c36-29-12-4-3-9-25(29)23-16-18-26-27-10-5-11-28(34(27)40-32(26)20-23)35-38-31-14-6-13-30(37)33(31)39(35)24-17-15-21-7-1-2-8-22(21)19-24;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h1-10,12-20H;6-9,11-13H,1-5H3;/q2*-1;/i;13D;.
What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium?
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium has a molecular weight of 1043.82 g/mol, XLogP of 14.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;7-fluoro-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-naphthalen-2-ylbenzimidazole;iridium is sourced from PubChem (CID 156660435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).