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

C164H197F9Ir4N10O8S5-4 — CID 158248464

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

2-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;2-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (PubChem CID 158248464) has the molecular formula C164H197F9Ir4N10O8S5-4 and a molecular weight of 3536.63 g/mol. Its IUPAC name is 2-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;2-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).

Molecular Properties

• Compound Name: 2-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;2-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
• PubChem CID: 158248464
• Molecular Formula: C164H197F9Ir4N10O8S5-4
• Molecular Weight: 3536.63 g/mol
• Exact Mass: 3537.23
• IUPAC Name: 2-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;2-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium)
• SMILES: CC(C)(C)c1cc(-c2cc(-c3nc(CC(C)(C)C(F)(F)F)cs3)c3ccccc3n2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3nc(CC(C)(C)C(F)(F)F)cs3)ncn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2nccc3cc(-c4nc(CC(C)(C)C(F)(F)F)cs4)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.Cc1csc(-c2csc3c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncnc23)n1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C31H28F3N2S.C26H25F3N3S.C24H20N3S2.4C13H24O2.4Ir/c1-29(2,3)25-15-20(14-19-10-6-7-11-22(19)25)27-16-24(23-12-8-9-13-26(23)36-27)28-35-21(18-37-28)17-30(4,5)31(32,33)34;1-29(2,3)26-16-22(15-19-8-6-7-9-24(19)26)27-25-11-10-21(14-20(25)12-13-35-27)28-36-23(18-37-28)17-30(4,5)31(32,33)34;1-24(2,3)20-11-17(10-16-8-6-7-9-19(16)20)21-12-22(31-15-30-21)23-32-18(14-33-23)13-25(4,5)26(27,28)29;1-14-11-29-23(27-14)18-12-28-22-20(25-13-26-21(18)22)16-9-15-7-5-6-8-17(15)19(10-16)24(2,3)4;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h6-13,15-16,18H,17H2,1-5H3;6-14,16,18H,17H2,1-5H3;6-9,11-12,14-15H,13H2,1-5H3;5-8,10-13H,1-4H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1
• InChIKey: ORJFGEJPJARRIQ-UHFFFAOYSA-N
• XLogP: 48.97
• TPSA: 278.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 42
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3536.63
LogP ≤ 5	48.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

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

The IUPAC name of 2-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;2-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) (CID 158248464) is 2-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;2-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium).

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

The canonical SMILES for 2-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;2-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is CC(C)(C)c1cc(-c2cc(-c3nc(CC(C)(C)C(F)(F)F)cs3)c3ccccc3n2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2cc(-c3nc(CC(C)(C)C(F)(F)F)cs3)ncn2)[c-]c2ccccc12.CC(C)(C)c1cc(-c2nccc3cc(-c4nc(CC(C)(C)C(F)(F)F)cs4)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.Cc1csc(-c2csc3c(-c4[c-]c5ccccc5c(C(C)(C)C)c4)ncnc23)n1.[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is ORJFGEJPJARRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H28F3N2S.C26H25F3N3S.C24H20N3S2.4C13H24O2.4Ir/c1-29(2,3)25-15-20(14-19-10-6-7-11-22(19)25)27-16-24(23-12-8-9-13-26(23)36-27)28-35-21(18-37-28)17-30(4,5)31(32,33)34;1-29(2,3)26-16-22(15-19-8-6-7-9-24(19)26)27-25-11-10-21(14-20(25)12-13-35-27)28-36-23(18-37-28)17-30(4,5)31(32,33)34;1-24(2,3)20-11-17(10-16-8-6-7-9-19(16)20)21-12-22(31-15-30-21)23-32-18(14-33-23)13-25(4,5)26(27,28)29;1-14-11-29-23(27-14)18-12-28-22-20(25-13-26-21(18)22)16-9-15-7-5-6-8-17(15)19(10-16)24(2,3)4;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h6-13,15-16,18H,17H2,1-5H3;6-14,16,18H,17H2,1-5H3;6-9,11-12,14-15H,13H2,1-5H3;5-8,10-13H,1-4H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;.

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

2-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;2-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) has a molecular weight of 3536.63 g/mol, XLogP of 48.97, 42 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)isoquinolin-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine;2-[6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)pyrimidin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)quinolin-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 158248464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).