6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

C126H94F13Ir5N10-5 — CID 158363781

IUPAC6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCC(C)c1cc(F)cc(C(C)C)c1-c1cnc2c3[c-]cccc3c3cc(F)c(F)cc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]cccc3c3cc(F)c(F)cc3n12.CC(F)(F)C(F)(F)c1ccc2c(c1)c1ccc[c-]c1c1nccn21.Cc1cc(-c2ccccc2)cc(C)c1-c1cnc2c3[c-]cccc3c3cc(F)c(F)cc3n12.Cc1cc2c3c(F)c(F)c[c-]c3c3ncc(-c4c(C)cccc4C)n3c2cc1C.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C29H19F2N2.C27H22F3N2.C27H23F2N2.C25H19F2N2.C18H11F4N2.5Ir/c1-17-12-20(19-8-4-3-5-9-19)13-18(2)28(17)27-16-32-29-22-11-7-6-10-21(22)23-14-24(30)25(31)15-26(23)33(27)29;1-14(2)19-9-16(28)10-20(15(3)4)26(19)25-13-31-27-18-8-6-5-7-17(18)21-11-22(29)23(30)12-24(21)32(25)27;1-15(2)17-10-7-11-18(16(3)4)26(17)25-14-30-27-20-9-6-5-8-19(20)21-12-22(28)23(29)13-24(21)31(25)27;1-13-6-5-7-14(2)22(13)21-12-28-25-17-8-9-19(26)24(27)23(17)18-10-15(3)16(4)11-20(18)29(21)25;1-17(19,20)18(21,22)11-6-7-15-14(10-11)12-4-2-3-5-13(12)16-23-8-9-24(15)16;;;;;/h3-10,12-16H,1-2H3;5-7,9-15H,1-4H3;5-8,10-16H,1-4H3;5-7,9-12H,1-4H3;2-4,6-10H,1H3;;;;;/q5*-1;;;;;
InChIKeyLMZZSDRQBUINHU-UHFFFAOYSA-N
MW2956.27 g/mol
LogP34.87
Rot. Bonds11

About 6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 158363781) has the molecular formula C126H94F13Ir5N10-5 and a molecular weight of 2956.27 g/mol. Its IUPAC name is 6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

Compound Name6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
PubChem CID158363781
Molecular FormulaC126H94F13Ir5N10-5
Molecular Weight2956.27 g/mol
Exact Mass2958.56
IUPAC Name6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCC(C)c1cc(F)cc(C(C)C)c1-c1cnc2c3[c-]cccc3c3cc(F)c(F)cc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]cccc3c3cc(F)c(F)cc3n12.CC(F)(F)C(F)(F)c1ccc2c(c1)c1ccc[c-]c1c1nccn21.Cc1cc(-c2ccccc2)cc(C)c1-c1cnc2c3[c-]cccc3c3cc(F)c(F)cc3n12.Cc1cc2c3c(F)c(F)c[c-]c3c3ncc(-c4c(C)cccc4C)n3c2cc1C.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C29H19F2N2.C27H22F3N2.C27H23F2N2.C25H19F2N2.C18H11F4N2.5Ir/c1-17-12-20(19-8-4-3-5-9-19)13-18(2)28(17)27-16-32-29-22-11-7-6-10-21(22)23-14-24(30)25(31)15-26(23)33(27)29;1-14(2)19-9-16(28)10-20(15(3)4)26(19)25-13-31-27-18-8-6-5-7-17(18)21-11-22(29)23(30)12-24(21)32(25)27;1-15(2)17-10-7-11-18(16(3)4)26(17)25-14-30-27-20-9-6-5-8-19(20)21-12-22(28)23(29)13-24(21)31(25)27;1-13-6-5-7-14(2)22(13)21-12-28-25-17-8-9-19(26)24(27)23(17)18-10-15(3)16(4)11-20(18)29(21)25;1-17(19,20)18(21,22)11-6-7-15-14(10-11)12-4-2-3-5-13(12)16-23-8-9-24(15)16;;;;;/h3-10,12-16H,1-2H3;5-7,9-15H,1-4H3;5-8,10-16H,1-4H3;5-7,9-12H,1-4H3;2-4,6-10H,1H3;;;;;/q5*-1;;;;;
InChIKeyLMZZSDRQBUINHU-UHFFFAOYSA-N
XLogP34.87
TPSA86.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms154
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002956.27
LogP ≤ 534.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The IUPAC name of 6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 158363781) is 6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.
What is the SMILES notation for 6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The canonical SMILES for 6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is CC(C)c1cc(F)cc(C(C)C)c1-c1cnc2c3[c-]cccc3c3cc(F)c(F)cc3n12.CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]cccc3c3cc(F)c(F)cc3n12.CC(F)(F)C(F)(F)c1ccc2c(c1)c1ccc[c-]c1c1nccn21.Cc1cc(-c2ccccc2)cc(C)c1-c1cnc2c3[c-]cccc3c3cc(F)c(F)cc3n12.Cc1cc2c3c(F)c(F)c[c-]c3c3ncc(-c4c(C)cccc4C)n3c2cc1C.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The InChIKey is LMZZSDRQBUINHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F2N2.C27H22F3N2.C27H23F2N2.C25H19F2N2.C18H11F4N2.5Ir/c1-17-12-20(19-8-4-3-5-9-19)13-18(2)28(17)27-16-32-29-22-11-7-6-10-21(22)23-14-24(30)25(31)15-26(23)33(27)29;1-14(2)19-9-16(28)10-20(15(3)4)26(19)25-13-31-27-18-8-6-5-7-17(18)21-11-22(29)23(30)12-24(21)32(25)27;1-15(2)17-10-7-11-18(16(3)4)26(17)25-14-30-27-20-9-6-5-8-19(20)21-12-22(28)23(29)13-24(21)31(25)27;1-13-6-5-7-14(2)22(13)21-12-28-25-17-8-9-19(26)24(27)23(17)18-10-15(3)16(4)11-20(18)29(21)25;1-17(19,20)18(21,22)11-6-7-15-14(10-11)12-4-2-3-5-13(12)16-23-8-9-24(15)16;;;;;/h3-10,12-16H,1-2H3;5-7,9-15H,1-4H3;5-8,10-16H,1-4H3;5-7,9-12H,1-4H3;2-4,6-10H,1H3;;;;;/q5*-1;;;;;.
What are the key properties of 6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 2956.27 g/mol, XLogP of 34.87, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 158363781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).