8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)

C140H170F10Ir4N16O8-4 — CID 159050198

About 8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)

8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (PubChem CID 159050198) has the molecular formula C140H170F10Ir4N16O8-4 and a molecular weight of 3169.89 g/mol. Its IUPAC name is 8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).

Molecular Properties

• Compound Name: 8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
• PubChem CID: 159050198
• Molecular Formula: C140H170F10Ir4N16O8-4
• Molecular Weight: 3169.89 g/mol
• Exact Mass: 3171.21
• IUPAC Name: 8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
• SMILES: CC(C)(C)c1cc(-c2nnc(C(F)(F)F)c3nc(F)c(F)nc23)[c-]c2ccccc12.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.Cc1nc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nnc(C(F)(F)F)c2nc1C.[2H]C([2H])([2H])c1nnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c2nc(C)c(C)nc12.[2H]C([2H])([2H])c1nnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c2nc(F)c(F)nc12.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H20F3N4.C23H23N4.C21H14F5N4.C21H17F2N4.4C13H24O2.4Ir/c1-12-13(2)28-20-19(27-12)18(29-30-21(20)23(24,25)26)15-10-14-8-6-7-9-16(14)17(11-15)22(3,4)5;1-13-14(2)25-22-20(24-13)15(3)26-27-21(22)17-11-16-9-7-8-10-18(16)19(12-17)23(4,5)6;1-20(2,3)13-9-11(8-10-6-4-5-7-12(10)13)14-15-16(28-19(23)18(22)27-15)17(30-29-14)21(24,25)26;1-11-16-18(25-20(23)19(22)24-16)17(27-26-11)13-9-12-7-5-6-8-14(12)15(10-13)21(2,3)4;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h6-9,11H,1-5H3;7-10,12H,1-6H3;4-7,9H,1-3H3;5-8,10H,1-4H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;/i;3D3;;1D3
• InChIKey: YITHSTUJHURZSZ-ZFXPBVBWSA-N
• XLogP: 37.26
• TPSA: 355.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 34
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3169.89
LogP ≤ 5	37.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

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'}

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?

The IUPAC name of 8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (CID 159050198) is 8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).

What is the SMILES notation for 8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?

The canonical SMILES for 8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is CC(C)(C)c1cc(-c2nnc(C(F)(F)F)c3nc(F)c(F)nc23)[c-]c2ccccc12.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.Cc1nc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nnc(C(F)(F)F)c2nc1C.[2H]C([2H])([2H])c1nnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c2nc(C)c(C)nc12.[2H]C([2H])([2H])c1nnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c2nc(F)c(F)nc12.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?

The InChIKey is YITHSTUJHURZSZ-ZFXPBVBWSA-N. The full InChI is InChI=1S/C23H20F3N4.C23H23N4.C21H14F5N4.C21H17F2N4.4C13H24O2.4Ir/c1-12-13(2)28-20-19(27-12)18(29-30-21(20)23(24,25)26)15-10-14-8-6-7-9-16(14)17(11-15)22(3,4)5;1-13-14(2)25-22-20(24-13)15(3)26-27-21(22)17-11-16-9-7-8-10-18(16)19(12-17)23(4,5)6;1-20(2,3)13-9-11(8-10-6-4-5-7-12(10)13)14-15-16(28-19(23)18(22)27-15)17(30-29-14)21(24,25)26;1-11-16-18(25-20(23)19(22)24-16)17(27-26-11)13-9-12-7-5-6-8-14(12)15(10-13)21(2,3)4;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h6-9,11H,1-5H3;7-10,12H,1-6H3;4-7,9H,1-3H3;5-8,10H,1-4H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;/i;3D3;;1D3;;;;;;;;.

What are the key properties of 8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?

8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) has a molecular weight of 3169.89 g/mol, XLogP of 37.26, 34 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-difluoro-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trideuteriomethyl)pyrazino[2,3-d]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 159050198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).