7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)

C245H313F3Ir5N5O10S5-5 — CID 163597186

About 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)

7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) (PubChem CID 163597186) has the molecular formula C245H313F3Ir5N5O10S5-5 and a molecular weight of 4681.73 g/mol. Its IUPAC name is 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium).

Molecular Properties

• Compound Name: 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)
• PubChem CID: 163597186
• Molecular Formula: C245H313F3Ir5N5O10S5-5
• Molecular Weight: 4681.73 g/mol
• Exact Mass: 4682.18
• IUPAC Name: 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)
• SMILES: CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1c(-c2ccc(CC(C)(C)C)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.[2H]C([2H])([2H])c1c(-c2ccc(C3CCC(C)(C)CC3)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.[2H]C([2H])([2H])c1c(-c2ccc(C3CCC(C)(C)CC3)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.[2H]C([2H])([2H])c1c(-c2ccc(CC(C)(C)C)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.[2H]C([2H])([2H])c1cnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c2sc(-c3ccc(CC(C)(C)C(F)(F)F)cc3)c(C([2H])([2H])[2H])c12.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C36H38NS.C34H33F3NS.2C33H34NS.C17H32O2.2C15H28O2.2C13H24O2.5Ir/c2*1-23-29-17-20-37-32(28-21-27-9-7-8-10-30(27)31(22-28)35(2,3)4)34(29)38-33(23)26-13-11-24(12-14-26)25-15-18-36(5,6)19-16-25;1-20-19-38-29(25-16-24-10-8-9-11-26(24)27(17-25)32(3,4)5)31-28(20)21(2)30(39-31)23-14-12-22(13-15-23)18-33(6,7)34(35,36)37;2*1-21-26-16-17-34-29(25-18-24-10-8-9-11-27(24)28(19-25)33(5,6)7)31(26)35-30(21)23-14-12-22(13-15-23)20-32(2,3)4;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;/h2*7-14,17,20,22,25H,15-16,18-19H2,1-6H3;8-15,17,19H,18H2,1-7H3;2*8-17,19H,20H2,1-7H3;9-13,16-18H,1-8H3;2*11,16H,7-10H2,1-6H3;2*9-11,14H,5-8H2,1-4H3;;;;;/q5*-1;;;;;;;;;;/i2*1D3;1D3,2D3;1D3
• InChIKey: BTAOOKISCSKMJP-ZRBJZQIISA-N
• XLogP: 73.81
• TPSA: 250.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 56
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4681.73
LogP ≤ 5	73.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)?

The IUPAC name of 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) (CID 163597186) is 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium).

What is the SMILES notation for 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)?

The canonical SMILES for 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) is CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1c(-c2ccc(CC(C)(C)C)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.[2H]C([2H])([2H])c1c(-c2ccc(C3CCC(C)(C)CC3)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.[2H]C([2H])([2H])c1c(-c2ccc(C3CCC(C)(C)CC3)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.[2H]C([2H])([2H])c1c(-c2ccc(CC(C)(C)C)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.[2H]C([2H])([2H])c1cnc(-c2[c-]c3ccccc3c(C(C)(C)C)c2)c2sc(-c3ccc(CC(C)(C)C(F)(F)F)cc3)c(C([2H])([2H])[2H])c12.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)?

The InChIKey is BTAOOKISCSKMJP-ZRBJZQIISA-N. The full InChI is InChI=1S/2C36H38NS.C34H33F3NS.2C33H34NS.C17H32O2.2C15H28O2.2C13H24O2.5Ir/c2*1-23-29-17-20-37-32(28-21-27-9-7-8-10-30(27)31(22-28)35(2,3)4)34(29)38-33(23)26-13-11-24(12-14-26)25-15-18-36(5,6)19-16-25;1-20-19-38-29(25-16-24-10-8-9-11-26(24)27(17-25)32(3,4)5)31-28(20)21(2)30(39-31)23-14-12-22(13-15-23)18-33(6,7)34(35,36)37;2*1-21-26-16-17-34-29(25-18-24-10-8-9-11-27(24)28(19-25)33(5,6)7)31(26)35-30(21)23-14-12-22(13-15-23)20-32(2,3)4;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;;/h2*7-14,17,20,22,25H,15-16,18-19H2,1-6H3;8-15,17,19H,18H2,1-7H3;2*8-17,19H,20H2,1-7H3;9-13,16-18H,1-8H3;2*11,16H,7-10H2,1-6H3;2*9-11,14H,5-8H2,1-4H3;;;;;/q5*-1;;;;;;;;;;/i2*1D3;1D3,2D3;1D3;;;;;;;;;;;.

What are the key properties of 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium)?

7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) has a molecular weight of 4681.73 g/mol, XLogP of 73.81, 56 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3,4-bis(trideuteriomethyl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]thieno[2,3-c]pyridine;bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-(trideuteriomethyl)thieno[2,3-c]pyridine;bis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;pentakis(iridium) is sourced from PubChem (CID 163597186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).