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

C148H175F9Ir4N16O8-4 — CID 161175917

IUPAC3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
SMILESCC(C)(C)c1cc(-c2nnc(C(F)(F)F)c3nc4ccccc4nc23)[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.Cc1nc2c(C)c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nnc2nc1C(F)(F)F.[2H]C([2H])([2H])c1nnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c2nc3ccccc3nc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H18F3N4.C25H21N4.2C23H20F3N4.4C13H24O2.4Ir/c1-24(2,3)17-13-15(12-14-8-4-5-9-16(14)17)20-21-22(23(32-31-20)25(26,27)28)30-19-11-7-6-10-18(19)29-21;1-15-22-24(27-21-12-8-7-11-20(21)26-22)23(29-28-15)17-13-16-9-5-6-10-18(16)19(14-17)25(2,3)4;1-12-18(29-30-21-19(12)27-13(2)20(28-21)23(24,25)26)15-10-14-8-6-7-9-16(14)17(11-15)22(3,4)5;1-12-13(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;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h4-11,13H,1-3H3;5-12,14H,1-4H3;2*6-9,11H,1-5H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;/i;1D3;;;;;;;;;;
InChIKeyOVZKNYZFUSOMAD-JZXCFEAYSA-N
MW3249.00 g/mol
LogP39.72
Rot. Bonds33

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

3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (PubChem CID 161175917) has the molecular formula C148H175F9Ir4N16O8-4 and a molecular weight of 3249.00 g/mol. Its IUPAC name is 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).

Molecular Properties

Compound Name3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
PubChem CID161175917
Molecular FormulaC148H175F9Ir4N16O8-4
Molecular Weight3249.00 g/mol
Exact Mass3250.24
IUPAC Name3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
SMILESCC(C)(C)c1cc(-c2nnc(C(F)(F)F)c3nc4ccccc4nc23)[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.Cc1nc2c(C)c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nnc2nc1C(F)(F)F.[2H]C([2H])([2H])c1nnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c2nc3ccccc3nc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H18F3N4.C25H21N4.2C23H20F3N4.4C13H24O2.4Ir/c1-24(2,3)17-13-15(12-14-8-4-5-9-16(14)17)20-21-22(23(32-31-20)25(26,27)28)30-19-11-7-6-10-18(19)29-21;1-15-22-24(27-21-12-8-7-11-20(21)26-22)23(29-28-15)17-13-16-9-5-6-10-18(16)19(14-17)25(2,3)4;1-12-18(29-30-21-19(12)27-13(2)20(28-21)23(24,25)26)15-10-14-8-6-7-9-16(14)17(11-15)22(3,4)5;1-12-13(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;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h4-11,13H,1-3H3;5-12,14H,1-4H3;2*6-9,11H,1-5H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;/i;1D3;;;;;;;;;;
InChIKeyOVZKNYZFUSOMAD-JZXCFEAYSA-N
XLogP39.72
TPSA355.44 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003249.00
LogP ≤ 539.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

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'}

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The IUPAC name of 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (CID 161175917) is 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).
What is the SMILES notation for 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The canonical SMILES for 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is CC(C)(C)c1cc(-c2nnc(C(F)(F)F)c3nc4ccccc4nc23)[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.Cc1nc2c(C)c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nnc2nc1C(F)(F)F.[2H]C([2H])([2H])c1nnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c2nc3ccccc3nc12.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The InChIKey is OVZKNYZFUSOMAD-JZXCFEAYSA-N. The full InChI is InChI=1S/C25H18F3N4.C25H21N4.2C23H20F3N4.4C13H24O2.4Ir/c1-24(2,3)17-13-15(12-14-8-4-5-9-16(14)17)20-21-22(23(32-31-20)25(26,27)28)30-19-11-7-6-10-18(19)29-21;1-15-22-24(27-21-12-8-7-11-20(21)26-22)23(29-28-15)17-13-16-9-5-6-10-18(16)19(14-17)25(2,3)4;1-12-18(29-30-21-19(12)27-13(2)20(28-21)23(24,25)26)15-10-14-8-6-7-9-16(14)17(11-15)22(3,4)5;1-12-13(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;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h4-11,13H,1-3H3;5-12,14H,1-4H3;2*6-9,11H,1-5H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;/i;1D3;;;;;;;;;;.
What are the key properties of 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) has a molecular weight of 3249.00 g/mol, XLogP of 39.72, 33 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4,6-dimethyl-7-(trifluoromethyl)pyrazino[2,3-c]pyridazine;8-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2,3-dimethyl-5-(trifluoromethyl)pyrazino[2,3-d]pyridazine;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trideuteriomethyl)pyridazino[4,5-b]quinoxaline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(trifluoromethyl)pyridazino[4,5-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 161175917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).