7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)

C132H146F6Ir4N16O8S4-4 — CID 159634915

About 7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)

7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (PubChem CID 159634915) has the molecular formula C132H146F6Ir4N16O8S4-4 and a molecular weight of 3104.90 g/mol. Its IUPAC name is 7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).

Molecular Properties

• Compound Name: 7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
• PubChem CID: 159634915
• Molecular Formula: C132H146F6Ir4N16O8S4-4
• Molecular Weight: 3104.90 g/mol
• Exact Mass: 3105.94
• IUPAC Name: 7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
• SMILES: CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1cc(C)c(-c2nc3nc(C(F)(F)F)c(C(F)(F)F)nc3nc2-c2[c-]c3ccccc3s2)c(C)c1.Cc1nc2nc3ccccc3nc2nc1-c1[c-]c2ccccc2s1.[2H]C([2H])([2H])c1nc(-c2[c-]c3ccccc3s2)nc2nc3ccccc3nc12.[2H]C([2H])([2H])c1nc2nc(C)c(-c3[c-]c4ccccc4s3)nc2nc1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C25H15F6N4S.2C19H11N4S.C17H13N4S.4C13H24O2.4Ir/c1-11-8-12(2)17(13(3)9-11)19-18(16-10-14-6-4-5-7-15(14)36-16)32-22-23(33-19)35-21(25(29,30)31)20(34-22)24(26,27)28;1-11-17-19(22-14-8-4-3-7-13(14)21-17)23-18(20-11)16-10-12-6-2-5-9-15(12)24-16;1-11-17(16-10-12-6-2-5-9-15(12)24-16)23-19-18(20-11)21-13-7-3-4-8-14(13)22-19;1-9-10(2)19-17-16(18-9)20-11(3)15(21-17)14-8-12-6-4-5-7-13(12)22-14;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h4-9H,1-3H3;2*2-9H,1H3;4-7H,1-3H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;/i;1D3;;1D3,2D3
• InChIKey: IVTJJNRQJVLTIB-DVSBLUCDSA-N
• XLogP: 36.35
• TPSA: 355.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3104.90
LogP ≤ 5	36.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?

The IUPAC name of 7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (CID 159634915) is 7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).

What is the SMILES notation for 7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?

The canonical SMILES for 7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1cc(C)c(-c2nc3nc(C(F)(F)F)c(C(F)(F)F)nc3nc2-c2[c-]c3ccccc3s2)c(C)c1.Cc1nc2nc3ccccc3nc2nc1-c1[c-]c2ccccc2s1.[2H]C([2H])([2H])c1nc(-c2[c-]c3ccccc3s2)nc2nc3ccccc3nc12.[2H]C([2H])([2H])c1nc2nc(C)c(-c3[c-]c4ccccc4s3)nc2nc1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?

The InChIKey is IVTJJNRQJVLTIB-DVSBLUCDSA-N. The full InChI is InChI=1S/C25H15F6N4S.2C19H11N4S.C17H13N4S.4C13H24O2.4Ir/c1-11-8-12(2)17(13(3)9-11)19-18(16-10-14-6-4-5-7-15(14)36-16)32-22-23(33-19)35-21(25(29,30)31)20(34-22)24(26,27)28;1-11-17-19(22-14-8-4-3-7-13(14)21-17)23-18(20-11)16-10-12-6-2-5-9-15(12)24-16;1-11-17(16-10-12-6-2-5-9-15(12)24-16)23-19-18(20-11)21-13-7-3-4-8-14(13)22-19;1-9-10(2)19-17-16(18-9)20-11(3)15(21-17)14-8-12-6-4-5-7-13(12)22-14;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h4-9H,1-3H3;2*2-9H,1H3;4-7H,1-3H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;/i;1D3;;1D3,2D3;;;;;;;;.

What are the key properties of 7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?

7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) has a molecular weight of 3104.90 g/mol, XLogP of 36.35, 36 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3H-1-benzothiophen-3-id-2-yl)-2,3-bis(trifluoromethyl)-6-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazine;6-(3H-1-benzothiophen-3-id-2-yl)-7-methyl-2,3-bis(trideuteriomethyl)pyrazino[2,3-b]pyrazine;3-(3H-1-benzothiophen-3-id-2-yl)-2-methylpyrazino[2,3-b]quinoxaline;2-(3H-1-benzothiophen-3-id-2-yl)-4-(trideuteriomethyl)benzo[g]pteridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 159634915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).