tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline

C179H191F24Ir6N17O12S-6 — CID 163921760

About tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline

tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline (PubChem CID 163921760) has the molecular formula C179H191F24Ir6N17O12S-6 and a molecular weight of 4413.93 g/mol. Its IUPAC name is tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline.

Molecular Properties

• Compound Name: tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline
• PubChem CID: 163921760
• Molecular Formula: C179H191F24Ir6N17O12S-6
• Molecular Weight: 4413.93 g/mol
• Exact Mass: 4416.20
• IUPAC Name: tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline
• SMILES: CCC(CC(F)(F)F)C(=O)C=C(O)C(C)C.CCC(CC(F)(F)F)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.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1c(F)c(C(F)(F)F)c2ncnc(-c3cc4ccccc4[n-]3)c2c1F.Cc1ccc(-c2ncnc3c(C(F)(F)F)c(F)c(C)c(F)c23)[n-]1.Cc1ccc(-c2ncnc3c(F)c(F)c(F)c(F)c23)[n-]1.Cc1ccc2c(ccc3cnc(-c4cc5ccsc5[n-]4)cc32)c1.Cc1ccc2cc3c(-c4cc5cccnc5[n-]4)nccc3cc2c1.Fc1c(F)c(F)c2c(-c3cc4ccccc4[n-]3)ncnc2c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C21H14N3.C20H13N2S.C18H9F5N3.C16H6F4N3.C15H9F5N3.C13H6F4N3.C13H21F3O2.4C13H24O2.C11H17F3O2.6Ir/c1-13-4-5-14-11-18-15(10-17(14)9-13)6-8-22-20(18)19-12-16-3-2-7-23-21(16)24-19;1-12-2-5-16-13(8-12)3-4-15-11-21-18(10-17(15)16)19-9-14-6-7-23-20(14)22-19;1-8-14(19)12-16(11-6-9-4-2-3-5-10(9)26-11)24-7-25-17(12)13(15(8)20)18(21,22)23;17-11-10-15(9-5-7-3-1-2-4-8(7)23-9)21-6-22-16(10)14(20)13(19)12(11)18;1-6-3-4-8(23-6)13-9-11(16)7(2)12(17)10(15(18,19)20)14(9)22-5-21-13;1-5-2-3-6(20-5)12-7-8(14)9(15)10(16)11(17)13(7)19-4-18-12;1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-4-8(6-11(12,13)14)10(16)5-9(15)7(2)3;;;;;;/h2-12H,1H3;2-11H,1H3;2-7H,1H3;1-6H;3-5H,1-2H3;2-4H,1H3;7,9-10,17H,4-6,8H2,1-3H3;4*9-11,14H,5-8H2,1-4H3;5,7-8,15H,4,6H2,1-3H3;;;;;;/q6*-1
• InChIKey: NOJQZQHIKJMVFZ-UHFFFAOYSA-N
• XLogP: 50.18
• TPSA: 450.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 46
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4413.93
LogP ≤ 5	50.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline?

The IUPAC name of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline (CID 163921760) is tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline.

What is the SMILES notation for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline?

The canonical SMILES for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline is CCC(CC(F)(F)F)C(=O)C=C(O)C(C)C.CCC(CC(F)(F)F)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.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1c(F)c(C(F)(F)F)c2ncnc(-c3cc4ccccc4[n-]3)c2c1F.Cc1ccc(-c2ncnc3c(C(F)(F)F)c(F)c(C)c(F)c23)[n-]1.Cc1ccc(-c2ncnc3c(F)c(F)c(F)c(F)c23)[n-]1.Cc1ccc2c(ccc3cnc(-c4cc5ccsc5[n-]4)cc32)c1.Cc1ccc2cc3c(-c4cc5cccnc5[n-]4)nccc3cc2c1.Fc1c(F)c(F)c2c(-c3cc4ccccc4[n-]3)ncnc2c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline?

The InChIKey is NOJQZQHIKJMVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N3.C20H13N2S.C18H9F5N3.C16H6F4N3.C15H9F5N3.C13H6F4N3.C13H21F3O2.4C13H24O2.C11H17F3O2.6Ir/c1-13-4-5-14-11-18-15(10-17(14)9-13)6-8-22-20(18)19-12-16-3-2-7-23-21(16)24-19;1-12-2-5-16-13(8-12)3-4-15-11-21-18(10-17(15)16)19-9-14-6-7-23-20(14)22-19;1-8-14(19)12-16(11-6-9-4-2-3-5-10(9)26-11)24-7-25-17(12)13(15(8)20)18(21,22)23;17-11-10-15(9-5-7-3-1-2-4-8(7)23-9)21-6-22-16(10)14(20)13(19)12(11)18;1-6-3-4-8(23-6)13-9-11(16)7(2)12(17)10(15(18,19)20)14(9)22-5-21-13;1-5-2-3-6(20-5)12-7-8(14)9(15)10(16)11(17)13(7)19-4-18-12;1-4-9(5-2)11(17)7-12(18)10(6-3)8-13(14,15)16;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-4-8(6-11(12,13)14)10(16)5-9(15)7(2)3;;;;;;/h2-12H,1H3;2-11H,1H3;2-7H,1H3;1-6H;3-5H,1-2H3;2-4H,1H3;7,9-10,17H,4-6,8H2,1-3H3;4*9-11,14H,5-8H2,1-4H3;5,7-8,15H,4,6H2,1-3H3;;;;;;/q6*-1;;;;;;;;;;;;.

What are the key properties of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline?

tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline has a molecular weight of 4413.93 g/mol, XLogP of 50.18, 46 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);3,7-diethyl-1,1,1-trifluoro-6-hydroxynon-5-en-4-one;5,7-difluoro-4-indol-1-id-2-yl-6-methyl-8-(trifluoromethyl)quinazoline;5,7-difluoro-6-methyl-4-(5-methylpyrrol-1-id-2-yl)-8-(trifluoromethyl)quinazoline;3-ethyl-1,1,1-trifluoro-6-hydroxy-7-methyloct-5-en-4-one;hexakis(iridium);5-(8-methylbenzo[f]isoquinolin-2-yl)thieno[2,3-b]pyrrol-6-ide;7-methyl-1-pyrrolo[2,3-b]pyridin-1-id-2-ylbenzo[g]isoquinoline;5,6,7,8-tetrafluoro-4-indol-1-id-2-ylquinazoline;5,6,7,8-tetrafluoro-4-(5-methylpyrrol-1-id-2-yl)quinazoline is sourced from PubChem (CID 163921760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).