1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium)

C158H184F12Ir4N6O8S3-4 — CID 158123447

About 1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium)

1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium) (PubChem CID 158123447) has the molecular formula C158H184F12Ir4N6O8S3-4 and a molecular weight of 3388.29 g/mol. Its IUPAC name is 1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium).

Molecular Properties

• Compound Name: 1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium)
• PubChem CID: 158123447
• Molecular Formula: C158H184F12Ir4N6O8S3-4
• Molecular Weight: 3388.29 g/mol
• Exact Mass: 3389.17
• IUPAC Name: 1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium)
• SMILES: CC(C)(C)Cc1cccc2c1sc1c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.CC(C)(C)Cc1cccc2c1sc1c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc12.CC(C)(C)c1cc[c-]c(-c2nccc3ccccc23)c1.CC(C)C(O)=CC(=O)C(C)(C)F.CC1(C)CCC(C(O)=CC(=O)C(C)(C)C(F)(F)F)CC1.CCCc1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc2c1C.O=C(C=C(O)C1(C(F)(F)F)CCCCC1)C1(C(F)(F)F)CCCCC1.O=C(C=C(O)C1(F)CCCCC1)C1(F)CCCCC1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C30H30NS.C29H29N2S.C24H25N2S.C19H18N.C17H22F6O2.C15H23F3O2.C15H22F2O2.C9H15FO2.4Ir/c1-29(2,3)18-20-11-9-13-23-24-14-15-31-26(28(24)32-27(20)23)21-16-19-10-7-8-12-22(19)25(17-21)30(4,5)6;1-28(2,3)16-19-11-9-13-22-25-27(32-26(19)22)24(30-17-31-25)20-14-18-10-7-8-12-21(18)23(15-20)29(4,5)6;1-6-9-20-15(2)21-23(27-20)22(26-14-25-21)17-12-16-10-7-8-11-18(16)19(13-17)24(3,4)5;1-19(2,3)16-9-6-8-15(13-16)18-17-10-5-4-7-14(17)11-12-20-18;18-16(19,20)14(7-3-1-4-8-14)12(24)11-13(25)15(17(21,22)23)9-5-2-6-10-15;1-13(2)7-5-10(6-8-13)11(19)9-12(20)14(3,4)15(16,17)18;16-14(7-3-1-4-8-14)12(18)11-13(19)15(17)9-5-2-6-10-15;1-6(2)7(11)5-8(12)9(3,4)10;;;;/h7-15,17H,18H2,1-6H3;7-13,15,17H,16H2,1-6H3;7-8,10-11,13-14H,6,9H2,1-5H3;4-7,9-13H,1-3H3;11,24H,1-10H2;9-10,19H,5-8H2,1-4H3;11,18H,1-10H2;5-6,11H,1-4H3;;;;/q4*-1
• InChIKey: KWDKOMCMEXXVGX-UHFFFAOYSA-N
• XLogP: 46.74
• TPSA: 226.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3388.29
LogP ≤ 5	46.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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 1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium)?

The IUPAC name of 1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium) (CID 158123447) is 1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium).

What is the SMILES notation for 1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium)?

The canonical SMILES for 1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium) is CC(C)(C)Cc1cccc2c1sc1c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.CC(C)(C)Cc1cccc2c1sc1c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc12.CC(C)(C)c1cc[c-]c(-c2nccc3ccccc23)c1.CC(C)C(O)=CC(=O)C(C)(C)F.CC1(C)CCC(C(O)=CC(=O)C(C)(C)C(F)(F)F)CC1.CCCc1sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)ncnc2c1C.O=C(C=C(O)C1(C(F)(F)F)CCCCC1)C1(C(F)(F)F)CCCCC1.O=C(C=C(O)C1(F)CCCCC1)C1(F)CCCCC1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium)?

The InChIKey is KWDKOMCMEXXVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30NS.C29H29N2S.C24H25N2S.C19H18N.C17H22F6O2.C15H23F3O2.C15H22F2O2.C9H15FO2.4Ir/c1-29(2,3)18-20-11-9-13-23-24-14-15-31-26(28(24)32-27(20)23)21-16-19-10-7-8-12-22(19)25(17-21)30(4,5)6;1-28(2,3)16-19-11-9-13-22-25-27(32-26(19)22)24(30-17-31-25)20-14-18-10-7-8-12-21(18)23(15-20)29(4,5)6;1-6-9-20-15(2)21-23(27-20)22(26-14-25-21)17-12-16-10-7-8-11-18(16)19(13-17)24(3,4)5;1-19(2,3)16-9-6-8-15(13-16)18-17-10-5-4-7-14(17)11-12-20-18;18-16(19,20)14(7-3-1-4-8-14)12(24)11-13(25)15(17(21,22)23)9-5-2-6-10-15;1-13(2)7-5-10(6-8-13)11(19)9-12(20)14(3,4)15(16,17)18;16-14(7-3-1-4-8-14)12(18)11-13(19)15(17)9-5-2-6-10-15;1-6(2)7(11)5-8(12)9(3,4)10;;;;/h7-15,17H,18H2,1-6H3;7-13,15,17H,16H2,1-6H3;7-8,10-11,13-14H,6,9H2,1-5H3;4-7,9-13H,1-3H3;11,24H,1-10H2;9-10,19H,5-8H2,1-4H3;11,18H,1-10H2;5-6,11H,1-4H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium)?

1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium) has a molecular weight of 3388.29 g/mol, XLogP of 46.74, 20 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(1-fluorocyclohexyl)-3-hydroxyprop-2-en-1-one;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;1-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-8-(2,2-dimethylpropyl)-[1]benzothiolo[2,3-c]pyridine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-(2,2-dimethylpropyl)-[1]benzothiolo[3,2-d]pyrimidine;4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7-methyl-6-propylthieno[3,2-d]pyrimidine;1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoro-1-hydroxy-4,4-dimethylpent-1-en-3-one;2-fluoro-5-hydroxy-2,6-dimethylhept-4-en-3-one;3-hydroxy-1,3-bis[1-(trifluoromethyl)cyclohexyl]prop-2-en-1-one;tetrakis(iridium) is sourced from PubChem (CID 158123447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).