[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium)

C191H153F6Ge3Ir3N9S3-6 — CID 162216081

IUPAC[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium)
SMILESFc1ccc(-c2ccc3c(c2)sc2c(-c4nc5ccccc5n4-c4c(-c5ccccc5)cccc4-c4ccccc4)[c-]ccc23)cc1.Fc1cccc2nc(-c3[c-]ccc4c3sc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.Fc1ccccc1-c1ccc2c(c1)sc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)[c-]cc(-c3ccccc3)c12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C1CCCCC1.[Ir].[Ir].[Ir]
InChIInChI=1S/C49H30FN2S.C44H25F4N2S.C43H26FN2S.C21H28GeN.2C17H22GeN.3Ir/c50-42-21-11-10-20-37(42)36-24-26-39-46(31-36)53-48-40(28-27-38(47(39)48)33-16-6-2-7-17-33)49-51-43-22-12-13-23-45(43)52(49)44-29-25-35(32-14-4-1-5-15-32)30-41(44)34-18-8-3-9-19-34;45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;44-32-24-21-28(22-25-32)31-23-26-35-36-17-10-18-37(42(36)47-40(35)27-31)43-45-38-19-7-8-20-39(38)46(43)41-33(29-11-3-1-4-12-29)15-9-16-34(41)30-13-5-2-6-14-30;1-22(2,3)20-16-23-21(18-12-8-5-9-13-18)15-19(20)14-17-10-6-4-7-11-17;2*1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;;;/h1-27,29-31H;1-13,15-26H;1-17,19-27H;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;2*6-9,11-13H,1-5H3;;;/q6*-1;;;/i;;;14D2;2*13D;;;
InChIKeyHZXNQPHMXBVZDP-HBNIMKBBSA-N
MW3583.08 g/mol
LogP52.33
Rot. Bonds26

About [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium)

[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium) (PubChem CID 162216081) has the molecular formula C191H153F6Ge3Ir3N9S3-6 and a molecular weight of 3583.08 g/mol. Its IUPAC name is [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium).

Molecular Properties

Compound Name[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium)
PubChem CID162216081
Molecular FormulaC191H153F6Ge3Ir3N9S3-6
Molecular Weight3583.08 g/mol
Exact Mass3586.81
IUPAC Name[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium)
SMILESFc1ccc(-c2ccc3c(c2)sc2c(-c4nc5ccccc5n4-c4c(-c5ccccc5)cccc4-c4ccccc4)[c-]ccc23)cc1.Fc1cccc2nc(-c3[c-]ccc4c3sc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.Fc1ccccc1-c1ccc2c(c1)sc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)[c-]cc(-c3ccccc3)c12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C1CCCCC1.[Ir].[Ir].[Ir]
InChIInChI=1S/C49H30FN2S.C44H25F4N2S.C43H26FN2S.C21H28GeN.2C17H22GeN.3Ir/c50-42-21-11-10-20-37(42)36-24-26-39-46(31-36)53-48-40(28-27-38(47(39)48)33-16-6-2-7-17-33)49-51-43-22-12-13-23-45(43)52(49)44-29-25-35(32-14-4-1-5-15-32)30-41(44)34-18-8-3-9-19-34;45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;44-32-24-21-28(22-25-32)31-23-26-35-36-17-10-18-37(42(36)47-40(35)27-31)43-45-38-19-7-8-20-39(38)46(43)41-33(29-11-3-1-4-12-29)15-9-16-34(41)30-13-5-2-6-14-30;1-22(2,3)20-16-23-21(18-12-8-5-9-13-18)15-19(20)14-17-10-6-4-7-11-17;2*1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;;;/h1-27,29-31H;1-13,15-26H;1-17,19-27H;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;2*6-9,11-13H,1-5H3;;;/q6*-1;;;/i;;;14D2;2*13D;;;
InChIKeyHZXNQPHMXBVZDP-HBNIMKBBSA-N
XLogP52.33
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003583.08
LogP ≤ 552.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium)?
The IUPAC name of [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium) (CID 162216081) is [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium).
What is the SMILES notation for [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium)?
The canonical SMILES for [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium) is Fc1ccc(-c2ccc3c(c2)sc2c(-c4nc5ccccc5n4-c4c(-c5ccccc5)cccc4-c4ccccc4)[c-]ccc23)cc1.Fc1cccc2nc(-c3[c-]ccc4c3sc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.Fc1ccccc1-c1ccc2c(c1)sc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)[c-]cc(-c3ccccc3)c12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C)C1CCCCC1.[Ir].[Ir].[Ir].
What is the InChIKey of [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium)?
The InChIKey is HZXNQPHMXBVZDP-HBNIMKBBSA-N. The full InChI is InChI=1S/C49H30FN2S.C44H25F4N2S.C43H26FN2S.C21H28GeN.2C17H22GeN.3Ir/c50-42-21-11-10-20-37(42)36-24-26-39-46(31-36)53-48-40(28-27-38(47(39)48)33-16-6-2-7-17-33)49-51-43-22-12-13-23-45(43)52(49)44-29-25-35(32-14-4-1-5-15-32)30-41(44)34-18-8-3-9-19-34;45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;44-32-24-21-28(22-25-32)31-23-26-35-36-17-10-18-37(42(36)47-40(35)27-31)43-45-38-19-7-8-20-39(38)46(43)41-33(29-11-3-1-4-12-29)15-9-16-34(41)30-13-5-2-6-14-30;1-22(2,3)20-16-23-21(18-12-8-5-9-13-18)15-19(20)14-17-10-6-4-7-11-17;2*1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;;;/h1-27,29-31H;1-13,15-26H;1-17,19-27H;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;2*6-9,11-13H,1-5H3;;;/q6*-1;;;/i;;;14D2;2*13D;;;.
What are the key properties of [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium)?
[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium) has a molecular weight of 3583.08 g/mol, XLogP of 52.33, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);1-(2,6-diphenylphenyl)-2-[7-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;tris(iridium) is sourced from PubChem (CID 162216081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).