2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

C103H60F12Ir6N12-6 — CID 158821871

IUPAC2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCC(C)(Cc1ccc2c(c1)c1ccc[c-]c1c1nccn21)C(F)(F)F.Cc1ccc2c(c1)c1ccc[c-]c1c1nccn21.FC(F)(F)c1cn2c3ccccc3c3ccc[c-]c3c2n1.Fc1c[c-]c2c(c1)c1cc(F)ccc1n1ccnc21.Fc1c[c-]c2c(c1)c1ccccc1n1cc(F)nc21.Fc1cccc(F)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H11F2N2.C20H16F3N2.C16H8F3N2.C16H11N2.2C15H7F2N2.6Ir/c22-16-9-5-10-17(23)20(16)19-12-24-21-15-8-2-1-6-13(15)14-7-3-4-11-18(14)25(19)21;1-19(2,20(21,22)23)12-13-7-8-17-16(11-13)14-5-3-4-6-15(14)18-24-9-10-25(17)18;17-16(18,19)14-9-21-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15(21)20-14;1-11-6-7-15-14(10-11)12-4-2-3-5-13(12)16-17-8-9-18(15)16;16-9-1-3-11-12(7-9)13-8-10(17)2-4-14(13)19-6-5-18-15(11)19;16-9-5-6-11-12(7-9)10-3-1-2-4-13(10)19-8-14(17)18-15(11)19;;;;;;/h1-7,9-12H;3-5,7-11H,12H2,1-2H3;1-6,8-9H;2-4,6-10H,1H3;1-2,4-8H;1-5,7-8H;;;;;;/q6*-1;;;;;;
InChIKeyUODGMGCAJCMFOT-UHFFFAOYSA-N
MW2846.97 g/mol
LogP26.59
Rot. Bonds3

About 2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 158821871) has the molecular formula C103H60F12Ir6N12-6 and a molecular weight of 2846.97 g/mol. Its IUPAC name is 2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

Compound Name2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
PubChem CID158821871
Molecular FormulaC103H60F12Ir6N12-6
Molecular Weight2846.97 g/mol
Exact Mass2850.27
IUPAC Name2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCC(C)(Cc1ccc2c(c1)c1ccc[c-]c1c1nccn21)C(F)(F)F.Cc1ccc2c(c1)c1ccc[c-]c1c1nccn21.FC(F)(F)c1cn2c3ccccc3c3ccc[c-]c3c2n1.Fc1c[c-]c2c(c1)c1cc(F)ccc1n1ccnc21.Fc1c[c-]c2c(c1)c1ccccc1n1cc(F)nc21.Fc1cccc(F)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H11F2N2.C20H16F3N2.C16H8F3N2.C16H11N2.2C15H7F2N2.6Ir/c22-16-9-5-10-17(23)20(16)19-12-24-21-15-8-2-1-6-13(15)14-7-3-4-11-18(14)25(19)21;1-19(2,20(21,22)23)12-13-7-8-17-16(11-13)14-5-3-4-6-15(14)18-24-9-10-25(17)18;17-16(18,19)14-9-21-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15(21)20-14;1-11-6-7-15-14(10-11)12-4-2-3-5-13(12)16-17-8-9-18(15)16;16-9-1-3-11-12(7-9)13-8-10(17)2-4-14(13)19-6-5-18-15(11)19;16-9-5-6-11-12(7-9)10-3-1-2-4-13(10)19-8-14(17)18-15(11)19;;;;;;/h1-7,9-12H;3-5,7-11H,12H2,1-2H3;1-6,8-9H;2-4,6-10H,1H3;1-2,4-8H;1-5,7-8H;;;;;;/q6*-1;;;;;;
InChIKeyUODGMGCAJCMFOT-UHFFFAOYSA-N
XLogP26.59
TPSA103.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002846.97
LogP ≤ 526.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide with MolForge

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Related Compounds

2-[3,5-Bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-fluorophenyl)imidazo[4,5-b]pyridine
CID 23391300
9-[4-[4-[3-[2-[6-(4-Carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-2-[4-[6-[4-(4-carbazol-9-yl-2,3,5,6-tetrafluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]pyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]carbazole
CID 138593212
N-[8-[3-[3-[bis(8-fluoro-3-methylimidazo[2,1-a]isoquinolin-2-yl)amino]-5-tert-butylphenyl]-3-methylbutyl]-3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinolin-2-yl]-N-(2-tert-butylpyrimidin-5-yl)-3-(2,2-dimethylpropyl)-8-methylimidazo[2,1-a]isoquinolin-2-amine
CID 144497952
9-[4-[3,5-Bis(trifluoromethyl)phenyl]-5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]pyridin-2-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 146393907
9-[5-[2,7-Bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]pyridin-2-yl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 146393908
3,6-Di(carbazol-9-yl)-9-[5-[3-(1,2-dihydrocarbazol-9-yl)-6-[3-[9-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-[6-[9-[4-[3-methyl-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-2-pyridinyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]carbazole
CID 146393952
3-[2,5-Bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]pyridin-4-yl]-5-(trifluoromethyl)benzonitrile
CID 146393973
3-[2-[3-[5-[1-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-3-pyridinyl]-3-methyl-6-pyrimidin-2-yl-2-[(1E)-2-pyrimidin-2-ylbuta-1,3-dienyl]indol-5-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-5-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
CID 146393985
9-[6-[2,7-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]pyridin-3-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenyl-1,3,5-triazin-2-yl)carbazole
CID 146394085
3-[5-[3,6-Bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-1,2-dihydrocarbazol-9-yl]pyridin-4-yl]-5-(trifluoromethyl)benzonitrile
CID 146394107
9-[5-[3,6-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]pyridin-2-yl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146394109
4-[7-[4-(7-Azaspiro[4.5]decan-7-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6,8-difluoro-2-methylquinoline
CID 148489374

Frequently Asked Questions

What is the IUPAC name of 2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The IUPAC name of 2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 158821871) is 2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.
What is the SMILES notation for 2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The canonical SMILES for 2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is CC(C)(Cc1ccc2c(c1)c1ccc[c-]c1c1nccn21)C(F)(F)F.Cc1ccc2c(c1)c1ccc[c-]c1c1nccn21.FC(F)(F)c1cn2c3ccccc3c3ccc[c-]c3c2n1.Fc1c[c-]c2c(c1)c1cc(F)ccc1n1ccnc21.Fc1c[c-]c2c(c1)c1ccccc1n1cc(F)nc21.Fc1cccc(F)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The InChIKey is UODGMGCAJCMFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F2N2.C20H16F3N2.C16H8F3N2.C16H11N2.2C15H7F2N2.6Ir/c22-16-9-5-10-17(23)20(16)19-12-24-21-15-8-2-1-6-13(15)14-7-3-4-11-18(14)25(19)21;1-19(2,20(21,22)23)12-13-7-8-17-16(11-13)14-5-3-4-6-15(14)18-24-9-10-25(17)18;17-16(18,19)14-9-21-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15(21)20-14;1-11-6-7-15-14(10-11)12-4-2-3-5-13(12)16-17-8-9-18(15)16;16-9-1-3-11-12(7-9)13-8-10(17)2-4-14(13)19-6-5-18-15(11)19;16-9-5-6-11-12(7-9)10-3-1-2-4-13(10)19-8-14(17)18-15(11)19;;;;;;/h1-7,9-12H;3-5,7-11H,12H2,1-2H3;1-6,8-9H;2-4,6-10H,1H3;1-2,4-8H;1-5,7-8H;;;;;;/q6*-1;;;;;;.
What are the key properties of 2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 2846.97 g/mol, XLogP of 26.59, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;7,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-difluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(3,3,3-trifluoro-2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 158821871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).