5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole

C217H153Ir10N31O5S-10 — CID 158044080

IUPAC5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole
SMILESCC(=O)C=C(C)O.Cc1cc(C)c(-c2cc3c4ccccc4c4c(-n5c(C)nnc5C)cc[c-]c4n3n2)c(C)c1.Cc1cc(C)c2c(c1)c1ccc[c-]c1c1nc(C#N)cn12.Cc1cc2c3c(C)cccc3c3c(-c4ncco4)c(C)c[c-]c3n2n1.Cc1cc2c3ccccc3c3c(-c4nc5ccccc5s4)c(C)c[c-]c3n2n1.Cc1cc2c3ccccc3c3c(-c4oc(C)c(C)c4C)cc[c-]c3n2n1.Cc1ccc2c(c1)c1ccc[c-]c1c1nc(C#N)cn21.Cc1cccc(C)c1-c1ccc2c(c1)c1ccc[c-]c1c1nc(C#N)cn21.Cc1cnn2c3[c-]ccc(-c4ccon4)c3c3ccccc3c12.N#Cc1cn2c(n1)c1[c-]cccc1c1cccc(-c3ccccc3)c12.N#Cc1cn2c3ccccc3c3ccc[c-]c3c2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C28H24N5.C24H16N3S.C24H16N3.C23H19N2O.C22H12N3.C21H16N3O.C19H12N3O.C18H12N3.C17H10N3.C16H8N3.C5H8O2.10Ir/c1-16-13-17(2)27(18(3)14-16)23-15-26-21-9-6-7-10-22(21)28-24(32-19(4)29-30-20(32)5)11-8-12-25(28)33(26)31-23;1-14-11-12-19-23(22(14)24-25-18-9-5-6-10-21(18)28-24)17-8-4-3-7-16(17)20-13-15(2)26-27(19)20;1-15-6-5-7-16(2)23(15)17-10-11-22-21(12-17)19-8-3-4-9-20(19)24-26-18(13-25)14-27(22)24;1-13-12-21-17-8-5-6-9-18(17)22-19(10-7-11-20(22)25(21)24-13)23-15(3)14(2)16(4)26-23;23-13-16-14-25-21-17(15-7-2-1-3-8-15)11-6-12-19(21)18-9-4-5-10-20(18)22(25)24-16;1-12-5-4-6-15-18(12)17-11-14(3)23-24(17)16-8-7-13(2)19(20(15)16)21-22-9-10-25-21;1-12-11-20-22-17-8-4-7-15(16-9-10-23-21-16)18(17)13-5-2-3-6-14(13)19(12)22;1-11-7-12(2)17-16(8-11)14-5-3-4-6-15(14)18-20-13(9-19)10-21(17)18;1-11-6-7-16-15(8-11)13-4-2-3-5-14(13)17-19-12(9-18)10-20(16)17;17-9-11-10-19-15-8-4-3-6-13(15)12-5-1-2-7-14(12)16(19)18-11;1-4(6)3-5(2)7;;;;;;;;;;/h6-11,13-15H,1-5H3;3-11,13H,1-2H3;3-8,10-12,14H,1-2H3;5-10,12H,1-4H3;1-9,11-12,14H;4-7,9-11H,1-3H3;2-7,9-11H,1H3;3-5,7-8,10H,1-2H3;2-4,6-8,10H,1H3;1-6,8,10H;3,6H,1-2H3;;;;;;;;;;/q10*-1;;;;;;;;;;;
InChIKeyQEDKOKNLGOIINI-UHFFFAOYSA-N
MW5229.06 g/mol
LogP50.38
Rot. Bonds9

About 5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole

5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole (PubChem CID 158044080) has the molecular formula C217H153Ir10N31O5S-10 and a molecular weight of 5229.06 g/mol. Its IUPAC name is 5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole.

Molecular Properties

Compound Name5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole
PubChem CID158044080
Molecular FormulaC217H153Ir10N31O5S-10
Molecular Weight5229.06 g/mol
Exact Mass5233.87
IUPAC Name5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole
SMILESCC(=O)C=C(C)O.Cc1cc(C)c(-c2cc3c4ccccc4c4c(-n5c(C)nnc5C)cc[c-]c4n3n2)c(C)c1.Cc1cc(C)c2c(c1)c1ccc[c-]c1c1nc(C#N)cn12.Cc1cc2c3c(C)cccc3c3c(-c4ncco4)c(C)c[c-]c3n2n1.Cc1cc2c3ccccc3c3c(-c4nc5ccccc5s4)c(C)c[c-]c3n2n1.Cc1cc2c3ccccc3c3c(-c4oc(C)c(C)c4C)cc[c-]c3n2n1.Cc1ccc2c(c1)c1ccc[c-]c1c1nc(C#N)cn21.Cc1cccc(C)c1-c1ccc2c(c1)c1ccc[c-]c1c1nc(C#N)cn21.Cc1cnn2c3[c-]ccc(-c4ccon4)c3c3ccccc3c12.N#Cc1cn2c(n1)c1[c-]cccc1c1cccc(-c3ccccc3)c12.N#Cc1cn2c3ccccc3c3ccc[c-]c3c2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C28H24N5.C24H16N3S.C24H16N3.C23H19N2O.C22H12N3.C21H16N3O.C19H12N3O.C18H12N3.C17H10N3.C16H8N3.C5H8O2.10Ir/c1-16-13-17(2)27(18(3)14-16)23-15-26-21-9-6-7-10-22(21)28-24(32-19(4)29-30-20(32)5)11-8-12-25(28)33(26)31-23;1-14-11-12-19-23(22(14)24-25-18-9-5-6-10-21(18)28-24)17-8-4-3-7-16(17)20-13-15(2)26-27(19)20;1-15-6-5-7-16(2)23(15)17-10-11-22-21(12-17)19-8-3-4-9-20(19)24-26-18(13-25)14-27(22)24;1-13-12-21-17-8-5-6-9-18(17)22-19(10-7-11-20(22)25(21)24-13)23-15(3)14(2)16(4)26-23;23-13-16-14-25-21-17(15-7-2-1-3-8-15)11-6-12-19(21)18-9-4-5-10-20(18)22(25)24-16;1-12-5-4-6-15-18(12)17-11-14(3)23-24(17)16-8-7-13(2)19(20(15)16)21-22-9-10-25-21;1-12-11-20-22-17-8-4-7-15(16-9-10-23-21-16)18(17)13-5-2-3-6-14(13)19(12)22;1-11-7-12(2)17-16(8-11)14-5-3-4-6-15(14)18-20-13(9-19)10-21(17)18;1-11-6-7-16-15(8-11)13-4-2-3-5-14(13)17-19-12(9-18)10-20(16)17;17-9-11-10-19-15-8-4-3-6-13(15)12-5-1-2-7-14(12)16(19)18-11;1-4(6)3-5(2)7;;;;;;;;;;/h6-11,13-15H,1-5H3;3-11,13H,1-2H3;3-8,10-12,14H,1-2H3;5-10,12H,1-4H3;1-9,11-12,14H;4-7,9-11H,1-3H3;2-7,9-11H,1H3;3-5,7-8,10H,1-2H3;2-4,6-8,10H,1H3;1-6,8,10H;3,6H,1-2H3;;;;;;;;;;/q10*-1;;;;;;;;;;;
InChIKeyQEDKOKNLGOIINI-UHFFFAOYSA-N
XLogP50.38
TPSA438.05 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds9
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005229.06
LogP ≤ 550.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze 5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole with MolForge

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Related Compounds

CID 158993095
CID 158993095
CID 160716233
CID 160716233
7,9-bis(2,6-dimethylphenyl)-2,5-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59358587
2-(4-tert-butylphenyl)-5-[4-[4-(2-methylbutyl)phenyl]phenyl]-1,3,4-oxadiazole;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;3-(3-carbazol-9-ylphenyl)-9-[3-(2-methylbutyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(2-methylbutyl)phenyl]carbazole;2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;5-methyl-7-[4-(2-methylbutyl)phenyl]-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;5-methyl-2-(2-methylphenyl)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(platinum(2+));2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 159812885
(Z)-4-hydroxypent-3-en-2-one;iridium;5-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 59358822
bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc
CID 158729746
CID 158260442
CID 158260442
CID 159325102
CID 159325102
3-(3-methylpyrazolo[1,5-f]phenanthridin-8-yl)-1,2-oxazole
CID 59358667
3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(4-hydroxypent-3-en-2-one);tris(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylquinoline
CID 157361435
9-(2,6-dimethylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358812
bis(1,5-bis(2,6-dimethylphenyl)-2-phenylimidazole);2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;2-fluoro-6-methyl-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile;12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);4-methanidylpent-3-en-2-one;3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;2-phenyl-1,5-bis(2,4,6-trimethylphenyl)imidazole
CID 160744352

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole?
The IUPAC name of 5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole (CID 158044080) is 5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole.
What is the SMILES notation for 5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole?
The canonical SMILES for 5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole is CC(=O)C=C(C)O.Cc1cc(C)c(-c2cc3c4ccccc4c4c(-n5c(C)nnc5C)cc[c-]c4n3n2)c(C)c1.Cc1cc(C)c2c(c1)c1ccc[c-]c1c1nc(C#N)cn12.Cc1cc2c3c(C)cccc3c3c(-c4ncco4)c(C)c[c-]c3n2n1.Cc1cc2c3ccccc3c3c(-c4nc5ccccc5s4)c(C)c[c-]c3n2n1.Cc1cc2c3ccccc3c3c(-c4oc(C)c(C)c4C)cc[c-]c3n2n1.Cc1ccc2c(c1)c1ccc[c-]c1c1nc(C#N)cn21.Cc1cccc(C)c1-c1ccc2c(c1)c1ccc[c-]c1c1nc(C#N)cn21.Cc1cnn2c3[c-]ccc(-c4ccon4)c3c3ccccc3c12.N#Cc1cn2c(n1)c1[c-]cccc1c1cccc(-c3ccccc3)c12.N#Cc1cn2c3ccccc3c3ccc[c-]c3c2n1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole?
The InChIKey is QEDKOKNLGOIINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N5.C24H16N3S.C24H16N3.C23H19N2O.C22H12N3.C21H16N3O.C19H12N3O.C18H12N3.C17H10N3.C16H8N3.C5H8O2.10Ir/c1-16-13-17(2)27(18(3)14-16)23-15-26-21-9-6-7-10-22(21)28-24(32-19(4)29-30-20(32)5)11-8-12-25(28)33(26)31-23;1-14-11-12-19-23(22(14)24-25-18-9-5-6-10-21(18)28-24)17-8-4-3-7-16(17)20-13-15(2)26-27(19)20;1-15-6-5-7-16(2)23(15)17-10-11-22-21(12-17)19-8-3-4-9-20(19)24-26-18(13-25)14-27(22)24;1-13-12-21-17-8-5-6-9-18(17)22-19(10-7-11-20(22)25(21)24-13)23-15(3)14(2)16(4)26-23;23-13-16-14-25-21-17(15-7-2-1-3-8-15)11-6-12-19(21)18-9-4-5-10-20(18)22(25)24-16;1-12-5-4-6-15-18(12)17-11-14(3)23-24(17)16-8-7-13(2)19(20(15)16)21-22-9-10-25-21;1-12-11-20-22-17-8-4-7-15(16-9-10-23-21-16)18(17)13-5-2-3-6-14(13)19(12)22;1-11-7-12(2)17-16(8-11)14-5-3-4-6-15(14)18-20-13(9-19)10-21(17)18;1-11-6-7-16-15(8-11)13-4-2-3-5-14(13)17-19-12(9-18)10-20(16)17;17-9-11-10-19-15-8-4-3-6-13(15)12-5-1-2-7-14(12)16(19)18-11;1-4(6)3-5(2)7;;;;;;;;;;/h6-11,13-15H,1-5H3;3-11,13H,1-2H3;3-8,10-12,14H,1-2H3;5-10,12H,1-4H3;1-9,11-12,14H;4-7,9-11H,1-3H3;2-7,9-11H,1H3;3-5,7-8,10H,1-2H3;2-4,6-8,10H,1H3;1-6,8,10H;3,6H,1-2H3;;;;;;;;;;/q10*-1;;;;;;;;;;;.
What are the key properties of 5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole?
5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole has a molecular weight of 5229.06 g/mol, XLogP of 50.38, 9 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole is sourced from PubChem (CID 158044080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).