3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

C106H72F10Ir6N12O2-6 — CID 162163132

IUPAC3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCc1cc(C(F)(F)F)[c-]c2c1c1ccccc1n1ccnc21.Cc1cn2c3ccccc3c3ccc[c-]c3c2n1.Cc1nc2c3[c-]cccc3c3ccc(F)cc3n2c1C1CCCCC1.FC(F)(F)c1[c-]c2c(cc1)c1ccccc1n1ccnc21.Fc1c[c-]c2c(c1)c1ccccc1n1ccnc21.O=C(C=C(O)CF)CF.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C22H20FN2.C17H10F3N2.C16H8F3N2.C16H11N2.C15H8FN2.C15H9N2.C5H6F2O2.6Ir/c1-14-21(15-7-3-2-4-8-15)25-20-13-16(23)11-12-18(20)17-9-5-6-10-19(17)22(25)24-14;1-10-8-11(17(18,19)20)9-13-15(10)12-4-2-3-5-14(12)22-7-6-21-16(13)22;17-16(18,19)10-5-6-11-12-3-1-2-4-14(12)21-8-7-20-15(21)13(11)9-10;1-11-10-18-15-9-5-4-7-13(15)12-6-2-3-8-14(12)16(18)17-11;16-10-5-6-12-13(9-10)11-3-1-2-4-14(11)18-8-7-17-15(12)18;1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;6-2-4(8)1-5(9)3-7;;;;;;/h5-6,9,11-13,15H,2-4,7-8H2,1H3;2-8H,1H3;1-8H;2-7,9-10H,1H3;1-5,7-9H;1-6,8-10H;1,8H,2-3H2;;;;;;/q6*-1;;;;;;;
InChIKeyRQPZGAFTNKUBAM-UHFFFAOYSA-N
MW2889.11 g/mol
LogP26.86
Rot. Bonds4

About 3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 162163132) has the molecular formula C106H72F10Ir6N12O2-6 and a molecular weight of 2889.11 g/mol. Its IUPAC name is 3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

Compound Name3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
PubChem CID162163132
Molecular FormulaC106H72F10Ir6N12O2-6
Molecular Weight2889.11 g/mol
Exact Mass2892.36
IUPAC Name3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCc1cc(C(F)(F)F)[c-]c2c1c1ccccc1n1ccnc21.Cc1cn2c3ccccc3c3ccc[c-]c3c2n1.Cc1nc2c3[c-]cccc3c3ccc(F)cc3n2c1C1CCCCC1.FC(F)(F)c1[c-]c2c(cc1)c1ccccc1n1ccnc21.Fc1c[c-]c2c(c1)c1ccccc1n1ccnc21.O=C(C=C(O)CF)CF.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C22H20FN2.C17H10F3N2.C16H8F3N2.C16H11N2.C15H8FN2.C15H9N2.C5H6F2O2.6Ir/c1-14-21(15-7-3-2-4-8-15)25-20-13-16(23)11-12-18(20)17-9-5-6-10-19(17)22(25)24-14;1-10-8-11(17(18,19)20)9-13-15(10)12-4-2-3-5-14(12)22-7-6-21-16(13)22;17-16(18,19)10-5-6-11-12-3-1-2-4-14(12)21-8-7-20-15(21)13(11)9-10;1-11-10-18-15-9-5-4-7-13(15)12-6-2-3-8-14(12)16(18)17-11;16-10-5-6-12-13(9-10)11-3-1-2-4-14(11)18-8-7-17-15(12)18;1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;6-2-4(8)1-5(9)3-7;;;;;;/h5-6,9,11-13,15H,2-4,7-8H2,1H3;2-8H,1H3;1-8H;2-7,9-10H,1H3;1-5,7-9H;1-6,8-10H;1,8H,2-3H2;;;;;;/q6*-1;;;;;;;
InChIKeyRQPZGAFTNKUBAM-UHFFFAOYSA-N
XLogP26.86
TPSA141.10 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002889.11
LogP ≤ 526.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide with MolForge

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Related Compounds

CID 157083796
CID 157083796
9-[4-[4-[[4-(4-Carbazol-9-ylphenyl)-3-methylphenyl]methyl]-2-methylphenyl]phenyl]carbazole;9-[4-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(2-phenylpyridine);5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;5-[4-[2-[4-[2-(4-pyrido[3,2-b]indol-5-ylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrido[3,2-b]indole;rhodium(2+);8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157088916
CID 157110314
CID 157110314
9-[2-[2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]pyrido[2,3-b]indole;2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;9-(5-carbazol-9-ylpyrimidin-2-yl)-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(difluoromethyl)pyrimidin-2-yl]-2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 157124881
8-[4-[1,1-Bis(1-phenylindol-3-yl)ethyl]phenyl]-4-ethyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]-1-(4-pyridin-2-ylbenzene-5-id-1-yl)nonan-3-one;1-[4-[5-[4-[1,1-bis(1-phenylindol-3-yl)ethyl]phenyl]hexan-3-yl]phenyl]-5-hydroxyhex-4-en-3-one;2-[3-[5-[4-[1,1-bis(1-phenylindol-3-yl)ethyl]phenyl]hexan-3-yl]phenyl]-1-phenylbenzimidazole;5-fluoro-3-[2-(5-fluoro-1-phenylindol-3-yl)propan-2-yl]-1-phenylindole;bis(iridium);3-[2-(5-methyl-1-phenylindol-3-yl)propan-2-yl]-1-phenyl-5-(trifluoromethyl)indole;tris(2-phenylpyridine);platinum;trimethyl-[3-[2-(5-methyl-1-phenylindol-3-yl)propan-2-yl]-1-phenylindol-5-yl]silane
CID 157160871
CID 157186529
CID 157186529
CID 157192347
CID 157192347
1-(4-Tert-butylbenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);1-phenylisoquinoline;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylquinoline
CID 157210358
tris(9-ethyl-2-pyrido[2,3-b]pyrazin-3-yl-3H-carbazol-3-ide);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium;1-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-1-ium
CID 157245609
6-[2-(3-Cyclopropylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine;6-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine;2-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-methyl-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine
CID 157285401
nonakis(iridium);3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;1-(2-methyl-3-phenylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazol-2-ide;1-(2-methylphenyl)-3-phenyl-7-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-propan-2-ylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide
CID 157315789
CID 157333042
CID 157333042

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The IUPAC name of 3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 162163132) is 3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.
What is the SMILES notation for 3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The canonical SMILES for 3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is Cc1cc(C(F)(F)F)[c-]c2c1c1ccccc1n1ccnc21.Cc1cn2c3ccccc3c3ccc[c-]c3c2n1.Cc1nc2c3[c-]cccc3c3ccc(F)cc3n2c1C1CCCCC1.FC(F)(F)c1[c-]c2c(cc1)c1ccccc1n1ccnc21.Fc1c[c-]c2c(c1)c1ccccc1n1ccnc21.O=C(C=C(O)CF)CF.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2c1c1nccn1c1ccccc21.
What is the InChIKey of 3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The InChIKey is RQPZGAFTNKUBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN2.C17H10F3N2.C16H8F3N2.C16H11N2.C15H8FN2.C15H9N2.C5H6F2O2.6Ir/c1-14-21(15-7-3-2-4-8-15)25-20-13-16(23)11-12-18(20)17-9-5-6-10-19(17)22(25)24-14;1-10-8-11(17(18,19)20)9-13-15(10)12-4-2-3-5-14(12)22-7-6-21-16(13)22;17-16(18,19)10-5-6-11-12-3-1-2-4-14(12)21-8-7-20-15(21)13(11)9-10;1-11-10-18-15-9-5-4-7-13(15)12-6-2-3-8-14(12)16(18)17-11;16-10-5-6-12-13(9-10)11-3-1-2-4-14(11)18-8-7-17-15(12)18;1-2-7-13-11(5-1)12-6-3-4-8-14(12)17-10-9-16-15(13)17;6-2-4(8)1-5(9)3-7;;;;;;/h5-6,9,11-13,15H,2-4,7-8H2,1H3;2-8H,1H3;1-8H;2-7,9-10H,1H3;1-5,7-9H;1-6,8-10H;1,8H,2-3H2;;;;;;/q6*-1;;;;;;;.
What are the key properties of 3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 2889.11 g/mol, XLogP of 26.86, 4 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-fluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;1,5-difluoro-4-hydroxypent-3-en-2-one;10-fluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;9-methyl-11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;11-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 162163132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).