3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)

C142H171F3Ir4N18O8-4 — CID 159699214

IUPAC3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
SMILESCC(C)(C)c1cc(-c2nnc3nc4ccccc4nc3n2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2nnc3nccnc3n2)[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.Cc1c(-c2[c-]c3ccccc3c(C(C)(C)C)c2)nnc2nc3ccccc3nc12.[2H]C([2H])([2H])c1nc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)nc2nc(C)c(C(F)(F)F)nc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H21N4.C23H20F3N4.C23H18N5.C19H16N5.4C13H24O2.4Ir/c1-15-22(28-29-24-23(15)26-20-11-7-8-12-21(20)27-24)17-13-16-9-5-6-10-18(16)19(14-17)25(2,3)4;1-12-18-21(28-13(2)19(29-18)23(24,25)26)30-20(27-12)15-10-14-8-6-7-9-16(14)17(11-15)22(3,4)5;1-23(2,3)17-13-15(12-14-8-4-5-9-16(14)17)20-26-21-22(28-27-20)25-19-11-7-6-10-18(19)24-21;1-19(2,3)15-11-13(10-12-6-4-5-7-14(12)15)16-22-17-18(24-23-16)21-9-8-20-17;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-12,14H,1-4H3;6-9,11H,1-5H3;4-11,13H,1-3H3;4-9,11H,1-3H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;/i;1D3;;;;;;;;;;
InChIKeyRWUWZNIAAVLJHF-JZXCFEAYSA-N
MW3086.93 g/mol
LogP35.86
Rot. Bonds33

About 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-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-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (PubChem CID 159699214) has the molecular formula C142H171F3Ir4N18O8-4 and a molecular weight of 3086.93 g/mol. Its IUPAC name is 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-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-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
PubChem CID159699214
Molecular FormulaC142H171F3Ir4N18O8-4
Molecular Weight3086.93 g/mol
Exact Mass3088.22
IUPAC Name3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
SMILESCC(C)(C)c1cc(-c2nnc3nc4ccccc4nc3n2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2nnc3nccnc3n2)[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.Cc1c(-c2[c-]c3ccccc3c(C(C)(C)C)c2)nnc2nc3ccccc3nc12.[2H]C([2H])([2H])c1nc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)nc2nc(C)c(C(F)(F)F)nc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H21N4.C23H20F3N4.C23H18N5.C19H16N5.4C13H24O2.4Ir/c1-15-22(28-29-24-23(15)26-20-11-7-8-12-21(20)27-24)17-13-16-9-5-6-10-18(16)19(14-17)25(2,3)4;1-12-18-21(28-13(2)19(29-18)23(24,25)26)30-20(27-12)15-10-14-8-6-7-9-16(14)17(11-15)22(3,4)5;1-23(2,3)17-13-15(12-14-8-4-5-9-16(14)17)20-26-21-22(28-27-20)25-19-11-7-6-10-18(19)24-21;1-19(2,3)15-11-13(10-12-6-4-5-7-14(12)15)16-22-17-18(24-23-16)21-9-8-20-17;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-12,14H,1-4H3;6-9,11H,1-5H3;4-11,13H,1-3H3;4-9,11H,1-3H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;/i;1D3;;;;;;;;;;
InChIKeyRWUWZNIAAVLJHF-JZXCFEAYSA-N
XLogP35.86
TPSA381.22 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds33
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003086.93
LogP ≤ 535.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

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-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-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-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-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-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (CID 159699214) is 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-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-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-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-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is CC(C)(C)c1cc(-c2nnc3nc4ccccc4nc3n2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2nnc3nccnc3n2)[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.Cc1c(-c2[c-]c3ccccc3c(C(C)(C)C)c2)nnc2nc3ccccc3nc12.[2H]C([2H])([2H])c1nc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)nc2nc(C)c(C(F)(F)F)nc12.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?
The InChIKey is RWUWZNIAAVLJHF-JZXCFEAYSA-N. The full InChI is InChI=1S/C25H21N4.C23H20F3N4.C23H18N5.C19H16N5.4C13H24O2.4Ir/c1-15-22(28-29-24-23(15)26-20-11-7-8-12-21(20)27-24)17-13-16-9-5-6-10-18(16)19(14-17)25(2,3)4;1-12-18-21(28-13(2)19(29-18)23(24,25)26)30-20(27-12)15-10-14-8-6-7-9-16(14)17(11-15)22(3,4)5;1-23(2,3)17-13-15(12-14-8-4-5-9-16(14)17)20-26-21-22(28-27-20)25-19-11-7-6-10-18(19)24-21;1-19(2,3)15-11-13(10-12-6-4-5-7-14(12)15)16-22-17-18(24-23-16)21-9-8-20-17;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h5-12,14H,1-4H3;6-9,11H,1-5H3;4-11,13H,1-3H3;4-9,11H,1-3H3;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-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-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-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) has a molecular weight of 3086.93 g/mol, XLogP of 35.86, 33 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-methylpyridazino[4,3-b]quinoxaline;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-4-(trideuteriomethyl)-6-(trifluoromethyl)pteridine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrazino[2,3-e][1,2,4]triazine;3-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-[1,2,4]triazino[5,6-b]quinoxaline;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 159699214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).