5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)

C172H200F12Ir4N12O8S8-4 — CID 157181845

About 5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)

5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (PubChem CID 157181845) has the molecular formula C172H200F12Ir4N12O8S8-4 and a molecular weight of 3816.95 g/mol. Its IUPAC name is 5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).

Molecular Properties

• Compound Name: 5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
• PubChem CID: 157181845
• Molecular Formula: C172H200F12Ir4N12O8S8-4
• Molecular Weight: 3816.95 g/mol
• Exact Mass: 3817.17
• IUPAC Name: 5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
• SMILES: CC(C)(C)c1cc(-c2cc(-c3nc4sc(CC(C)(C)C(F)(F)F)nc4s3)c3ccccc3n2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3nc4sc(CC(C)(C)C(F)(F)F)nc4s3)ncn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2nccc3c(-c4nc(CC(C)(C)C(F)(F)F)cs4)csc23)[c-]c2ccccc12.CC(C)(C)c1cc(-c2nccc3cc(-c4nc5sc(CC(C)(C)C(F)(F)F)nc5s4)ccc23)[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.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C32H27F3N3S2.C29H26F3N2S2.C27H24F3N4S2.4C13H24O2.4Ir/c1-30(2,3)23-15-19(14-18-10-6-7-11-20(18)23)25-16-22(21-12-8-9-13-24(21)36-25)27-38-29-28(40-27)37-26(39-29)17-31(4,5)32(33,34)35;1-30(2,3)24-16-21(15-18-8-6-7-9-22(18)24)26-23-11-10-20(14-19(23)12-13-36-26)27-38-29-28(40-27)37-25(39-29)17-31(4,5)32(33,34)35;1-27(2,3)23-13-18(12-17-8-6-7-9-20(17)23)24-25-21(10-11-33-24)22(16-35-25)26-34-19(15-36-26)14-28(4,5)29(30,31)32;1-25(2,3)18-11-16(10-15-8-6-7-9-17(15)18)19-12-20(32-14-31-19)22-34-24-23(36-22)33-21(35-24)13-26(4,5)27(28,29)30;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h6-13,15-16H,17H2,1-5H3;6-14,16H,17H2,1-5H3;6-11,13,15-16H,14H2,1-5H3;6-9,11-12,14H,13H2,1-5H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1
• InChIKey: CDEDSVYXNYTTNO-UHFFFAOYSA-N
• XLogP: 53.23
• TPSA: 303.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 44
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3816.95
LogP ≤ 5	53.23
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'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?

The IUPAC name of 5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (CID 157181845) is 5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).

What is the SMILES notation for 5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?

The canonical SMILES for 5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is CC(C)(C)c1cc(-c2cc(-c3nc4sc(CC(C)(C)C(F)(F)F)nc4s3)c3ccccc3n2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3nc4sc(CC(C)(C)C(F)(F)F)nc4s3)ncn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2nccc3c(-c4nc(CC(C)(C)C(F)(F)F)cs4)csc23)[c-]c2ccccc12.CC(C)(C)c1cc(-c2nccc3cc(-c4nc5sc(CC(C)(C)C(F)(F)F)nc5s4)ccc23)[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.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?

The InChIKey is CDEDSVYXNYTTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H27F3N3S2.C29H26F3N2S2.C27H24F3N4S2.4C13H24O2.4Ir/c1-30(2,3)23-15-19(14-18-10-6-7-11-20(18)23)25-16-22(21-12-8-9-13-24(21)36-25)27-38-29-28(40-27)37-26(39-29)17-31(4,5)32(33,34)35;1-30(2,3)24-16-21(15-18-8-6-7-9-22(18)24)26-23-11-10-20(14-19(23)12-13-36-26)27-38-29-28(40-27)37-25(39-29)17-31(4,5)32(33,34)35;1-27(2,3)23-13-18(12-17-8-6-7-9-20(17)23)24-25-21(10-11-33-24)22(16-35-25)26-34-19(15-36-26)14-28(4,5)29(30,31)32;1-25(2,3)18-11-16(10-15-8-6-7-9-17(15)18)19-12-20(32-14-31-19)22-34-24-23(36-22)33-21(35-24)13-26(4,5)27(28,29)30;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h6-13,15-16H,17H2,1-5H3;6-14,16H,17H2,1-5H3;6-11,13,15-16H,14H2,1-5H3;6-9,11-12,14H,13H2,1-5H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)?

5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) has a molecular weight of 3816.95 g/mol, XLogP of 53.23, 44 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;5-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-[1,3]thiazolo[5,4-d][1,3]thiazole;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridine;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 157181845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).