[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium

C44H40FGeIrN3S-2 — CID 156660049

IUPAC[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium
SMILESCCn1c(-c2[c-]cc(-c3ccc(F)cc3)c3c2sc2ccccc23)nc2ccccc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C27H18FN2S.C17H22GeN.Ir/c1-2-30-23-9-5-4-8-22(23)29-27(30)21-16-15-19(17-11-13-18(28)14-12-17)25-20-7-3-6-10-24(20)31-26(21)25;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-15H,2H2,1H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;
InChIKeyTWWMTTHJYMLDRY-LTBAMTPYSA-N
MW927.72 g/mol
LogP11.91
Rot. Bonds6

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium (PubChem CID 156660049) has the molecular formula C44H40FGeIrN3S-2 and a molecular weight of 927.72 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium.

Molecular Properties

Compound Name[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium
PubChem CID156660049
Molecular FormulaC44H40FGeIrN3S-2
Molecular Weight927.72 g/mol
Exact Mass929.18
IUPAC Name[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium
SMILESCCn1c(-c2[c-]cc(-c3ccc(F)cc3)c3c2sc2ccccc23)nc2ccccc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C27H18FN2S.C17H22GeN.Ir/c1-2-30-23-9-5-4-8-22(23)29-27(30)21-16-15-19(17-11-13-18(28)14-12-17)25-20-7-3-6-10-24(20)31-26(21)25;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-15H,2H2,1H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;
InChIKeyTWWMTTHJYMLDRY-LTBAMTPYSA-N
XLogP11.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.72
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;iridium
CID 156660370
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;3-(2,4-diphenylphenyl)-2-(1-phenyl-7-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)benzo[e]benzimidazole;iridium
CID 156658612
4-(2-deuteriopropan-2-yl)-2-phenyl-5-(trideuteriomethyl)pyridine;1-[2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium
CID 170941193
iridium;3-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166578907
[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
2-[7,9-bis(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]-1-(3-phenylphenyl)benzimidazole;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658906
[4-(2-deuteriopropan-2-yl)-6-(2-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;4-[4-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-3H-dibenzofuran-3-id-1-yl]benzonitrile;1-dibenzothiophen-2-yl-2-[8-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;(4,5-dimethyl-6-phenyl-3-pyridinyl)-trimethylgermane;1-ethyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazole;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
CID 161410447
2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156659628
8-(1-ethylbenzimidazol-2-yl)-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156671765
8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668226
8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156671267
1-(4-tert-butylphenyl)-2-[9-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 156660207

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium?
The IUPAC name of [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) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium.
What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium?
The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium is CCn1c(-c2[c-]cc(-c3ccc(F)cc3)c3c2sc2ccccc23)nc2ccccc21.[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;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium?
The InChIKey is TWWMTTHJYMLDRY-LTBAMTPYSA-N. The full InChI is InChI=1S/C27H18FN2S.C17H22GeN.Ir/c1-2-30-23-9-5-4-8-22(23)29-27(30)21-16-15-19(17-11-13-18(28)14-12-17)25-20-7-3-6-10-24(20)31-26(21)25;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-15H,2H2,1H3;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;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium?
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium has a molecular weight of 927.72 g/mol, XLogP of 11.91, 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;1-ethyl-2-[1-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium is sourced from PubChem (CID 156660049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).