7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one);pentakis(iridium)

C243H285F9Ir5N5O10S5-5 — CID 163724710

About 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(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-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one);pentakis(iridium) (PubChem CID 163724710) has the molecular formula C243H285F9Ir5N5O10S5-5 and a molecular weight of 4728.38 g/mol. Its IUPAC name is 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(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-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one);pentakis(iridium)
• PubChem CID: 163724710
• Molecular Formula: C243H285F9Ir5N5O10S5-5
• Molecular Weight: 4728.38 g/mol
• Exact Mass: 4728.86
• IUPAC Name: 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(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.CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.Cc1[c-]c(-c2nccc3c(C)c(-c4ccc(-c5ccc(CC(C)(C)C(F)(F)F)cc5)cc4)sc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(-c4ccc(-c5ccccc5)cc4)sc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(-c4ccc(-c5ccccc5)cc4)sc23)cc(C)c1.Cc1c(-c2ccc(-c3ccc(CC(C)(C)C(F)(F)F)cc3)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.Cc1c(-c2ccc(-c3ccccc3)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C39H35F3NS.C34H28NS.C33H29F3NS.2C28H22NS.4C17H32O2.C13H21F3O2.5Ir/c1-24-31-19-20-43-34(30-21-29-9-7-8-10-32(29)33(22-30)37(2,3)4)36(31)44-35(24)28-17-15-27(16-18-28)26-13-11-25(12-14-26)23-38(5,6)39(40,41)42;1-22-28-18-19-35-31(27-20-26-12-8-9-13-29(26)30(21-27)34(2,3)4)33(28)36-32(22)25-16-14-24(15-17-25)23-10-6-5-7-11-23;1-20-16-21(2)18-27(17-20)29-31-28(14-15-37-29)22(3)30(38-31)26-12-10-25(11-13-26)24-8-6-23(7-9-24)19-32(4,5)33(34,35)36;2*1-18-15-19(2)17-24(16-18)26-28-25(13-14-29-26)20(3)27(30-28)23-11-9-22(10-12-23)21-7-5-4-6-8-21;4*1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;;;;;/h7-20,22H,23H2,1-6H3;5-19,21H,1-4H3;6-17H,19H2,1-5H3;2*4-16H,1-3H3;4*9-13,16-18H,1-8H3;7,9-10,18H,4-6,8H2,1-3H3;;;;;/q5*-1
• InChIKey: GTFBSLHJLDDXDC-UHFFFAOYSA-N
• XLogP: 71.86
• TPSA: 250.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 54
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4728.38
LogP ≤ 5	71.86
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-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(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-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one);pentakis(iridium) (CID 163724710) is 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(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-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(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-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(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.CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CCC(CC)C(=O)C=C(O)C(CC)CC(F)(F)F.Cc1[c-]c(-c2nccc3c(C)c(-c4ccc(-c5ccc(CC(C)(C)C(F)(F)F)cc5)cc4)sc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(-c4ccc(-c5ccccc5)cc4)sc23)cc(C)c1.Cc1[c-]c(-c2nccc3c(C)c(-c4ccc(-c5ccccc5)cc4)sc23)cc(C)c1.Cc1c(-c2ccc(-c3ccc(CC(C)(C)C(F)(F)F)cc3)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.Cc1c(-c2ccc(-c3ccccc3)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one);pentakis(iridium)?

The InChIKey is GTFBSLHJLDDXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35F3NS.C34H28NS.C33H29F3NS.2C28H22NS.4C17H32O2.C13H21F3O2.5Ir/c1-24-31-19-20-43-34(30-21-29-9-7-8-10-32(29)33(22-30)37(2,3)4)36(31)44-35(24)28-17-15-27(16-18-28)26-13-11-25(12-14-26)23-38(5,6)39(40,41)42;1-22-28-18-19-35-31(27-20-26-12-8-9-13-29(26)30(21-27)34(2,3)4)33(28)36-32(22)25-16-14-24(15-17-25)23-10-6-5-7-11-23;1-20-16-21(2)18-27(17-20)29-31-28(14-15-37-29)22(3)30(38-31)26-12-10-25(11-13-26)24-8-6-23(7-9-24)19-32(4,5)33(34,35)36;2*1-18-15-19(2)17-24(16-18)26-28-25(13-14-29-26)20(3)27(30-28)23-11-9-22(10-12-23)21-7-5-4-6-8-21;4*1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;;;;;/h7-20,22H,23H2,1-6H3;5-19,21H,1-4H3;6-17H,19H2,1-5H3;2*4-16H,1-3H3;4*9-13,16-18H,1-8H3;7,9-10,18H,4-6,8H2,1-3H3;;;;;/q5*-1;;;;;;;;;;.

What are the key properties of 7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(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-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one);pentakis(iridium) has a molecular weight of 4728.38 g/mol, XLogP of 71.86, 54 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-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine;7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one;bis(7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-(4-phenylphenyl)thieno[2,3-c]pyridine);7-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine;tetrakis(6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one);pentakis(iridium) is sourced from PubChem (CID 163724710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).