(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile

C192H50F16N46O2 — CID 159038981

IUPAC(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile
SMILES[C-]#[N+]C1=C(c2c(F)c(F)c([N+]#[C-])c(F)c2F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1c(F)c(F)c(C#N)c(F)c1F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccc(OC(F)(F)F)cc2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(OC(F)(F)F)cc1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)[N+]#[C-])c2c(C#N)c3c(c(C#N)c21)C(C#N)=C(c1ccccc1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)[N+]#[C-])c2c(F)c3c(c(F)c21)C(C#N)=C(c1ccccc1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccccn2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccccn1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ncccn2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ncccn1)/C3=C(\C#N)[N+]#[C-]
InChIInChI=1S/C34H2F8N8.C34H10F6N6O2.C34H10N8.C32H10F2N6.C30H10N8.C28H8N10/c1-47-17(9-45)19-12-6-13-14(5-11(12)15(7-43)21(19)23-27(37)25(35)16(8-44)26(36)28(23)38)33(49-3)22(20(13)18(10-46)48-2)24-29(39)31(41)34(50-4)32(42)30(24)40;1-44-26(15-42)30-22-13-23-24(12-21(22)25(14-41)28(30)17-4-8-19(9-5-17)47-33(35,36)37)32(46-3)29(31(23)27(16-43)45-2)18-6-10-20(11-7-18)48-34(38,39)40;1-40-24(17-38)32-26(19-10-6-4-7-11-19)21(14-35)28-22(15-36)31-30(23(16-37)29(28)32)33(25(18-39)41-2)27(34(31)42-3)20-12-8-5-9-13-20;1-38-20(15-36)25-22(17-10-6-4-7-11-17)19(14-35)24-27(25)31(34)28-26(21(16-37)39-2)23(18-12-8-5-9-13-18)32(40-3)29(28)30(24)33;1-34-24(15-32)26-18-13-19-20(12-17(18)21(14-31)28(26)22-8-4-6-10-37-22)30(36-3)29(23-9-5-7-11-38-23)27(19)25(16-33)35-2;1-32-20(13-30)22-16-11-17-18(10-15(16)19(12-29)24(22)27-35-6-4-7-36-27)26(34-3)25(23(17)21(14-31)33-2)28-37-8-5-9-38-28/h5-6H;4-13H;4-13H;4-13H;4-13H;4-11H/b19-17+,20-18-;30-26+,31-27-;32-24-,33-25+;25-20-,26-21+;26-24+,27-25-;22-20+,23-21-
InChIKeyJVUSPZXKAFRTKL-ZKJRILIWSA-N
MW3336.80 g/mol
LogP43.19
Rot. Bonds14

About (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile

(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile (PubChem CID 159038981) has the molecular formula C192H50F16N46O2 and a molecular weight of 3336.80 g/mol. Its IUPAC name is (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile.

Molecular Properties

Compound Name(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile
PubChem CID159038981
Molecular FormulaC192H50F16N46O2
Molecular Weight3336.80 g/mol
Exact Mass3334.50
IUPAC Name(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile
SMILES[C-]#[N+]C1=C(c2c(F)c(F)c([N+]#[C-])c(F)c2F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1c(F)c(F)c(C#N)c(F)c1F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccc(OC(F)(F)F)cc2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(OC(F)(F)F)cc1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)[N+]#[C-])c2c(C#N)c3c(c(C#N)c21)C(C#N)=C(c1ccccc1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)[N+]#[C-])c2c(F)c3c(c(F)c21)C(C#N)=C(c1ccccc1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccccn2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccccn1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ncccn2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ncccn1)/C3=C(\C#N)[N+]#[C-]
InChIInChI=1S/C34H2F8N8.C34H10F6N6O2.C34H10N8.C32H10F2N6.C30H10N8.C28H8N10/c1-47-17(9-45)19-12-6-13-14(5-11(12)15(7-43)21(19)23-27(37)25(35)16(8-44)26(36)28(23)38)33(49-3)22(20(13)18(10-46)48-2)24-29(39)31(41)34(50-4)32(42)30(24)40;1-44-26(15-42)30-22-13-23-24(12-21(22)25(14-41)28(30)17-4-8-19(9-5-17)47-33(35,36)37)32(46-3)29(31(23)27(16-43)45-2)18-6-10-20(11-7-18)48-34(38,39)40;1-40-24(17-38)32-26(19-10-6-4-7-11-19)21(14-35)28-22(15-36)31-30(23(16-37)29(28)32)33(25(18-39)41-2)27(34(31)42-3)20-12-8-5-9-13-20;1-38-20(15-36)25-22(17-10-6-4-7-11-17)19(14-35)24-27(25)31(34)28-26(21(16-37)39-2)23(18-12-8-5-9-13-18)32(40-3)29(28)30(24)33;1-34-24(15-32)26-18-13-19-20(12-17(18)21(14-31)28(26)22-8-4-6-10-37-22)30(36-3)29(23-9-5-7-11-38-23)27(19)25(16-33)35-2;1-32-20(13-30)22-16-11-17-18(10-15(16)19(12-29)24(22)27-35-6-4-7-36-27)26(34-3)25(23(17)21(14-31)33-2)28-37-8-5-9-38-28/h5-6H;4-13H;4-13H;4-13H;4-13H;4-11H/b19-17+,20-18-;30-26+,31-27-;32-24-,33-25+;25-20-,26-21+;26-24+,27-25-;22-20+,23-21-
InChIKeyJVUSPZXKAFRTKL-ZKJRILIWSA-N
XLogP43.19
TPSA678.23 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds14
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003336.80
LogP ≤ 543.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile with MolForge

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Related Compounds

(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-5-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,7E)-3,7-bis[cyano(isocyano)methylidene]-4,8-difluoro-5-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-diphenyl-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-5-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile
CID 157367207
5-Butyl-2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]phenyl]pyridine;5-butyl-2-[4-[2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]ethynyl]phenyl]pyrimidine;5-butyl-2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]phenyl]pyridine;5-butyl-2-[4-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]ethynyl]phenyl]pyrimidine;5-[2-[4-(4-butylphenyl)phenyl]ethynyl]-2-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluorobenzene;5-[2-[4-(4-butylphenyl)phenyl]ethynyl]-2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluorobenzene
CID 157392899
CID 157725867
CID 157725867
2-(2,4-Dimethylphenyl)pyridine;2-(2,5-dimethylphenyl)pyridine;3-(2,4-dimethylphenyl)pyridine;3-(2,5-dimethylphenyl)pyridine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)pyrimidine;2-fluoro-1,3-dimethyl-4-phenylbenzene;2-(3-fluoro-2,4-dimethylphenyl)pyridine;bis(2-(3-fluoro-2,4-dimethylphenyl)pyrimidine);2-(3-fluoro-5-methylphenyl)-3-methylpyrazine;2-(4-fluoro-2-methylphenyl)pyridine;3-(4-fluoro-2-methylphenyl)pyridine;2-(3-fluoro-2-methylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;methane;2-(4-methoxyphenyl)-3-methylpyrazine;2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 157885073
(2E)-2-[3,6-bis[4-(4-fluorophenyl)phenyl]-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;2-[(9E)-9-[cyano(isocyano)methylidene]-6-(4-isocyanoquinazolin-2-yl)-2-methyl-7-(trifluoromethoxy)fluoren-3-yl]quinazoline-4-carbonitrile;(2E)-2-[3,6-di(isoquinolin-1-yl)-2-methyl-7-(trifluoromethoxy)fluoren-9-ylidene]-2-isocyanoacetonitrile;(2E)-2-isocyano-2-[2-methyl-3,6-dinaphthalen-2-yl-7-(trifluoromethoxy)fluoren-9-ylidene]acetonitrile;2-isocyano-2-[2-methyl-3,6-di(quinazolin-2-yl)-7-(trifluoromethoxy)-9H-fluoren-9-yl]acetonitrile
CID 157927826
5-But-3-enyl-2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]pyrimidine;6-[[2,6-difluoro-4-[2-fluoro-4-(6-pentylnaphthalen-2-yl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine;2-[4-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyrimidine;2-[6-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]-5-pentylpyridine
CID 158027309
CID 158039334
CID 158039334
(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-dipyridin-2-yl-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]-s-indacene-1,5-dicarbonitrile;(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile
CID 158148647
9-(4-methylphenyl)-9-phenyl-N,N-bis(4-phenylphenyl)-7-pyridin-3-ylfluoren-4-amine;9-(4-methylphenyl)-9-phenyl-N,N-bis(4-phenylphenyl)-7-pyrimidin-5-ylfluoren-4-amine;9-methyl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine;9-naphthalen-1-yl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)-9-[3-(2-phenylpyrimidin-4-yl)phenyl]fluoren-4-amine;9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trifluoromethoxy)phenyl]fluoren-3-amine
CID 158384592
(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1,7-dicarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-2,6-diphenyl-s-indacene-1,7-dicarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2,6-diphenyl-4,8-bis(trifluoromethyl)-s-indacene-1,7-dicarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2,6-diphenyl-s-indacene-1,4,7,8-tetracarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2,6-dipyridin-2-yl-s-indacene-1,7-dicarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2,6-di(pyrimidin-2-yl)-s-indacene-1,7-dicarbonitrile
CID 158417154
2-(3,4-Difluorophenyl)-3-fluoro-5-(5-methyl-2-pyridinyl)pyridine;2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine;bis(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine);tris(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]pyridine);bis(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)
CID 158475746
1-Tert-butyl-4-(4-tert-butylphenyl)benzene;2-tert-butyl-5-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)benzonitrile;5-tert-butyl-2-(4-tert-butylphenyl)-1,3-difluorobenzene;bis(4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene);2-tert-butyl-5-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;5-tert-butyl-2-(4-tert-butylphenyl)pyrimidine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethoxy)benzene;1,4-ditert-butylbenzene;2,6-ditert-butylnaphthalene
CID 158492559

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile?
The IUPAC name of (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile (CID 159038981) is (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile.
What is the SMILES notation for (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile?
The canonical SMILES for (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile is [C-]#[N+]C1=C(c2c(F)c(F)c([N+]#[C-])c(F)c2F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1c(F)c(F)c(C#N)c(F)c1F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccc(OC(F)(F)F)cc2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccc(OC(F)(F)F)cc1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)[N+]#[C-])c2c(C#N)c3c(c(C#N)c21)C(C#N)=C(c1ccccc1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)[N+]#[C-])c2c(F)c3c(c(F)c21)C(C#N)=C(c1ccccc1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccccn2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ccccn1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ncccn2)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(c1ncccn1)/C3=C(\C#N)[N+]#[C-].
What is the InChIKey of (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile?
The InChIKey is JVUSPZXKAFRTKL-ZKJRILIWSA-N. The full InChI is InChI=1S/C34H2F8N8.C34H10F6N6O2.C34H10N8.C32H10F2N6.C30H10N8.C28H8N10/c1-47-17(9-45)19-12-6-13-14(5-11(12)15(7-43)21(19)23-27(37)25(35)16(8-44)26(36)28(23)38)33(49-3)22(20(13)18(10-46)48-2)24-29(39)31(41)34(50-4)32(42)30(24)40;1-44-26(15-42)30-22-13-23-24(12-21(22)25(14-41)28(30)17-4-8-19(9-5-17)47-33(35,36)37)32(46-3)29(31(23)27(16-43)45-2)18-6-10-20(11-7-18)48-34(38,39)40;1-40-24(17-38)32-26(19-10-6-4-7-11-19)21(14-35)28-22(15-36)31-30(23(16-37)29(28)32)33(25(18-39)41-2)27(34(31)42-3)20-12-8-5-9-13-20;1-38-20(15-36)25-22(17-10-6-4-7-11-17)19(14-35)24-27(25)31(34)28-26(21(16-37)39-2)23(18-12-8-5-9-13-18)32(40-3)29(28)30(24)33;1-34-24(15-32)26-18-13-19-20(12-17(18)21(14-31)28(26)22-8-4-6-10-37-22)30(36-3)29(23-9-5-7-11-38-23)27(19)25(16-33)35-2;1-32-20(13-30)22-16-11-17-18(10-15(16)19(12-29)24(22)27-35-6-4-7-36-27)26(34-3)25(23(17)21(14-31)33-2)28-37-8-5-9-38-28/h5-6H;4-13H;4-13H;4-13H;4-13H;4-11H/b19-17+,20-18-;30-26+,31-27-;32-24-,33-25+;25-20-,26-21+;26-24+,27-25-;22-20+,23-21-.
What are the key properties of (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile?
(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile has a molecular weight of 3336.80 g/mol, XLogP of 43.19, 14 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5,6-tetrafluorophenyl)-7-isocyano-6-(2,3,5,6-tetrafluoro-4-isocyanophenyl)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-2,6-diphenyl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-dipyridin-2-yl-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-di(pyrimidin-2-yl)-s-indacene-1-carbonitrile is sourced from PubChem (CID 159038981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).