[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium

C51H54FIrN3OSi-2 — CID 171460388

IUPAC[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
SMILESCC(C)c1cc(F)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2Oc2ccccc2C3(C)C)nc2ccccc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
InChIInChI=1S/C34H32FN2O.C17H22NSi.Ir/c1-20(2)24-18-22(35)19-25(21(3)4)31(24)37-29-16-9-8-15-28(29)36-33(37)23-12-11-14-27-32(23)38-30-17-10-7-13-26(30)34(27,5)6;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h7-11,13-21H,1-6H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;
InChIKeyAKGJPNYQKDHPQM-LTBAMTPYSA-N
MW965.32 g/mol
LogP13.53
Rot. Bonds7

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium (PubChem CID 171460388) has the molecular formula C51H54FIrN3OSi-2 and a molecular weight of 965.32 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium.

Molecular Properties

Compound Name[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
PubChem CID171460388
Molecular FormulaC51H54FIrN3OSi-2
Molecular Weight965.32 g/mol
Exact Mass965.37
IUPAC Name[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
SMILESCC(C)c1cc(F)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2Oc2ccccc2C3(C)C)nc2ccccc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
InChIInChI=1S/C34H32FN2O.C17H22NSi.Ir/c1-20(2)24-18-22(35)19-25(21(3)4)31(24)37-29-16-9-8-15-28(29)36-33(37)23-12-11-14-27-32(23)38-30-17-10-7-13-26(30)34(27,5)6;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h7-11,13-21H,1-6H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;
InChIKeyAKGJPNYQKDHPQM-LTBAMTPYSA-N
XLogP13.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.32
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
CID 171460381
CID 156659672
CID 156659672
1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-(9H-phenanthro[1,2-b][1]benzofuran-9-id-8-yl)benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 167331803
1-[2,6-bis(2-deuteriopropan-2-yl)-4-(4-phenylphenyl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium
CID 170537765
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoxaline;iridium
CID 164826295
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 156660716
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-[1-(2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 156670916
[4-(2-deuteriopropan-2-yl)-6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-3-pyridinyl]-trimethylsilane;1-[2,6-di(butan-2-yl)-4-methylphenyl]-2-phenylbenzimidazole;iridium
CID 170531845
2-(3H-dibenzofuran-3-id-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(3,3-dimethylpentan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156660679
8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 156667498
8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 156668216
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;8-[1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazol-2-yl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 176644006

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium (CID 171460388) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium.
What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium is CC(C)c1cc(F)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2Oc2ccccc2C3(C)C)nc2ccccc21.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].
What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
The InChIKey is AKGJPNYQKDHPQM-LTBAMTPYSA-N. The full InChI is InChI=1S/C34H32FN2O.C17H22NSi.Ir/c1-20(2)24-18-22(35)19-25(21(3)4)31(24)37-29-16-9-8-15-28(29)36-33(37)23-12-11-14-27-32(23)38-30-17-10-7-13-26(30)34(27,5)6;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;/h7-11,13-21H,1-6H3;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]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium?
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium has a molecular weight of 965.32 g/mol, XLogP of 13.53, 7 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]-trimethylsilane;2-(9,9-dimethyl-3H-xanthen-3-id-4-yl)-1-[4-fluoro-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium is sourced from PubChem (CID 171460388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).