2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline

C201H230F12Ir5N5O10-5 — CID 163630894

About 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline

2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline (PubChem CID 163630894) has the molecular formula C201H230F12Ir5N5O10-5 and a molecular weight of 4065.14 g/mol. Its IUPAC name is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline.

Molecular Properties

• Compound Name: 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline
• PubChem CID: 163630894
• Molecular Formula: C201H230F12Ir5N5O10-5
• Molecular Weight: 4065.14 g/mol
• Exact Mass: 4066.56
• IUPAC Name: 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline
• SMILES: CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC1(C)CC(C2C(F)(F)c3ccc4cnc(-c5[c-]c6ccccc6c(C(C)(C)C)c5)cc4c3C2(F)F)CC(C)(C)C1.CC1(C)c2cc3ccnc(-c4[c-]cccc4)c3cc2C(C)(C)C1c1ccccc1.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.CCC(F)(CC)C(=O)C=C(O)C(F)(CC)CC.FC1(F)CC(c2ccccc2)c2cc3cc(-c4[c-]cccc4)ncc3cc21.FC1(F)c2cc3ccnc(-c4[c-]cccc4)c3cc2C(F)(F)C1c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccc2cc3c(cc12)CC(c1ccccc1)C3
• InChI: InChI=1S/C36H38F4N.C28H26N.C24H14F4N.C24H16F2N.C24H18N.C15H28O2.C13H22F2O2.2C13H24O2.C11H20O2.5Ir/c1-32(2,3)28-15-23(14-21-10-8-9-11-25(21)28)29-16-26-22(19-41-29)12-13-27-30(26)36(39,40)31(35(27,37)38)24-17-33(4,5)20-34(6,7)18-24;1-27(2)23-17-21-15-16-29-25(19-11-7-5-8-12-19)22(21)18-24(23)28(3,4)26(27)20-13-9-6-10-14-20;25-23(26)19-13-17-11-12-29-21(15-7-3-1-4-8-15)18(17)14-20(19)24(27,28)22(23)16-9-5-2-6-10-16;25-24(26)14-21(16-7-3-1-4-8-16)20-11-18-13-23(17-9-5-2-6-10-17)27-15-19(18)12-22(20)24;1-3-7-17(8-4-1)20-14-21-13-19-11-12-25-24(18-9-5-2-6-10-18)23(19)16-22(21)15-20;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-5-12(14,6-2)10(16)9-11(17)13(15,7-3)8-4;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;/h8-13,15-16,19,24,31H,17-18,20H2,1-7H3;5-11,13-18,26H,1-4H3;1-7,9-14,22H;1-9,11-13,15,21H,14H2;1-9,11-13,16,20H,14-15H2;11,16H,7-10H2,1-6H3;9,16H,5-8H2,1-4H3;2*9-11,14H,5-8H2,1-4H3;7,12H,1-6H3;;;;;/q5*-1
• InChIKey: KQWTYLJSTSHOTC-UHFFFAOYSA-N
• XLogP: 55.99
• TPSA: 250.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 39
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4065.14
LogP ≤ 5	55.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

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-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline?

The IUPAC name of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline (CID 163630894) is 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline.

What is the SMILES notation for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline?

The canonical SMILES for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC1(C)CC(C2C(F)(F)c3ccc4cnc(-c5[c-]c6ccccc6c(C(C)(C)C)c5)cc4c3C2(F)F)CC(C)(C)C1.CC1(C)c2cc3ccnc(-c4[c-]cccc4)c3cc2C(C)(C)C1c1ccccc1.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.CCC(F)(CC)C(=O)C=C(O)C(F)(CC)CC.FC1(F)CC(c2ccccc2)c2cc3cc(-c4[c-]cccc4)ncc3cc21.FC1(F)c2cc3ccnc(-c4[c-]cccc4)c3cc2C(F)(F)C1c1ccccc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccc2cc3c(cc12)CC(c1ccccc1)C3.

What is the InChIKey of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline?

The InChIKey is KQWTYLJSTSHOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38F4N.C28H26N.C24H14F4N.C24H16F2N.C24H18N.C15H28O2.C13H22F2O2.2C13H24O2.C11H20O2.5Ir/c1-32(2,3)28-15-23(14-21-10-8-9-11-25(21)28)29-16-26-22(19-41-29)12-13-27-30(26)36(39,40)31(35(27,37)38)24-17-33(4,5)20-34(6,7)18-24;1-27(2)23-17-21-15-16-29-25(19-11-7-5-8-12-19)22(21)18-24(23)28(3,4)26(27)20-13-9-6-10-14-20;25-23(26)19-13-17-11-12-29-21(15-7-3-1-4-8-15)18(17)14-20(19)24(27,28)22(23)16-9-5-2-6-10-16;25-24(26)14-21(16-7-3-1-4-8-16)20-11-18-13-23(17-9-5-2-6-10-17)27-15-19(18)12-22(20)24;1-3-7-17(8-4-1)20-14-21-13-19-11-12-25-24(18-9-5-2-6-10-18)23(19)16-22(21)15-20;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;1-5-12(14,6-2)10(16)9-11(17)13(15,7-3)8-4;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-10(2,3)8(12)7-9(13)11(4,5)6;;;;;/h8-13,15-16,19,24,31H,17-18,20H2,1-7H3;5-11,13-18,26H,1-4H3;1-7,9-14,22H;1-9,11-13,15,21H,14H2;1-9,11-13,16,20H,14-15H2;11,16H,7-10H2,1-6H3;9,16H,5-8H2,1-4H3;2*9-11,14H,5-8H2,1-4H3;7,12H,1-6H3;;;;;/q5*-1;;;;;;;;;;.

What are the key properties of 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline?

2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline has a molecular weight of 4065.14 g/mol, XLogP of 55.99, 39 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-7,7,9,9-tetrafluoro-8-(3,3,5,5-tetramethylcyclohexyl)-8H-cyclopenta[f]isoquinoline;3,7-diethyl-3,7-difluoro-6-hydroxynon-5-en-4-one;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);8,8-difluoro-6-phenyl-3-phenyl-6,7-dihydrocyclopenta[g]isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);7-phenyl-1-phenyl-7,8-dihydro-6H-cyclopenta[g]isoquinoline;6,6,8,8-tetrafluoro-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline;6,6,8,8-tetramethyl-7-phenyl-1-phenyl-7H-cyclopenta[g]isoquinoline is sourced from PubChem (CID 163630894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).