(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile

C150H30F32N34O — CID 157491763

IUPAC(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile
SMILES[C-]#[N+]C1=C(C)/C(=C(\[N+]#[C-])c2cc(C#N)cc([N+]#[C-])c2)c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)/C(=C(/C#N)c2cc(C#N)cc([N+]#[C-])c2)C(C(F)(F)F)=C1C#N.[C-]#[N+]C1=C(C)/C(=C(\[N+]#[C-])c2cc(C#N)cc([N+]#[C-])c2)c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)/C(=C(/C#N)c2cc(C#N)cc([N+]#[C-])c2)C(OC(F)(F)F)=C1C#N.[C-]#[N+]C1=C(F)/C(=C(\[N+]#[C-])c2cc(C#N)cc([N+]#[C-])c2)c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)/C(=C(/C#N)c2cc(C#N)cc([N+]#[C-])c2)C(F)=C1C#N.[C-]#[N+]C1=C([N+]#[C-])c2c(c(C(F)(F)F)c3c(c2C(F)(F)F)C(C#N)=C(C#N)/C3=C(\C#N)c2cc(C#N)cc([N+]#[C-])c2)/C1=C(/[N+]#[C-])c1cc(C#N)cc([N+]#[C-])c1
InChIInChI=1S/C38H9F9N8O.C38H9F9N8.C38H6F6N10.C36H6F8N8/c1-16-25(34(55-5)20-7-18(13-49)9-22(11-20)53-3)28-30(33(16)54-4)31(36(39,40)41)26-24(15-51)35(56-38(45,46)47)27(29(26)32(28)37(42,43)44)23(14-50)19-6-17(12-48)8-21(10-19)52-2;1-16-25(35(55-5)20-7-18(13-49)9-22(11-20)53-3)28-30(34(16)54-4)32(37(42,43)44)27-24(15-51)31(36(39,40)41)26(29(27)33(28)38(45,46)47)23(14-50)19-6-17(12-48)8-21(10-19)52-2;1-50-21-8-17(12-45)6-19(10-21)23(14-47)26-24(15-48)25(16-49)27-28(26)33(38(42,43)44)29-30(32(27)37(39,40)41)35(53-4)36(54-5)31(29)34(52-3)20-7-18(13-46)9-22(11-20)51-2;1-49-19-7-15(11-45)5-17(9-19)21(13-47)24-25-23(22(14-48)31(24)37)29(35(39,40)41)27-26(30(25)36(42,43)44)28(32(38)34(27)52-4)33(51-3)18-6-16(12-46)8-20(10-18)50-2/h6-11H,1H3;6-11H,1H3;6-11H;5-10H/b27-23+,34-25+;26-23+,35-25+;26-23-,34-31-;24-21+,33-28-
InChIKeyBXIYJLALBIRHMG-MBCFQQEZSA-N
MW2932.06 g/mol
LogP43.25
Rot. Bonds9

About (3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile

(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile (PubChem CID 157491763) has the molecular formula C150H30F32N34O and a molecular weight of 2932.06 g/mol. Its IUPAC name is (3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile.

Molecular Properties

Compound Name(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile
PubChem CID157491763
Molecular FormulaC150H30F32N34O
Molecular Weight2932.06 g/mol
Exact Mass2930.28
IUPAC Name(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile
SMILES[C-]#[N+]C1=C(C)/C(=C(\[N+]#[C-])c2cc(C#N)cc([N+]#[C-])c2)c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)/C(=C(/C#N)c2cc(C#N)cc([N+]#[C-])c2)C(C(F)(F)F)=C1C#N.[C-]#[N+]C1=C(C)/C(=C(\[N+]#[C-])c2cc(C#N)cc([N+]#[C-])c2)c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)/C(=C(/C#N)c2cc(C#N)cc([N+]#[C-])c2)C(OC(F)(F)F)=C1C#N.[C-]#[N+]C1=C(F)/C(=C(\[N+]#[C-])c2cc(C#N)cc([N+]#[C-])c2)c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)/C(=C(/C#N)c2cc(C#N)cc([N+]#[C-])c2)C(F)=C1C#N.[C-]#[N+]C1=C([N+]#[C-])c2c(c(C(F)(F)F)c3c(c2C(F)(F)F)C(C#N)=C(C#N)/C3=C(\C#N)c2cc(C#N)cc([N+]#[C-])c2)/C1=C(/[N+]#[C-])c1cc(C#N)cc([N+]#[C-])c1
InChIInChI=1S/C38H9F9N8O.C38H9F9N8.C38H6F6N10.C36H6F8N8/c1-16-25(34(55-5)20-7-18(13-49)9-22(11-20)53-3)28-30(33(16)54-4)31(36(39,40)41)26-24(15-51)35(56-38(45,46)47)27(29(26)32(28)37(42,43)44)23(14-50)19-6-17(12-48)8-21(10-19)52-2;1-16-25(35(55-5)20-7-18(13-49)9-22(11-20)53-3)28-30(34(16)54-4)32(37(42,43)44)27-24(15-51)31(36(39,40)41)26(29(27)33(28)38(45,46)47)23(14-50)19-6-17(12-48)8-21(10-19)52-2;1-50-21-8-17(12-45)6-19(10-21)23(14-47)26-24(15-48)25(16-49)27-28(26)33(38(42,43)44)29-30(32(27)37(39,40)41)35(53-4)36(54-5)31(29)34(52-3)20-7-18(13-46)9-22(11-20)51-2;1-49-19-7-15(11-45)5-17(9-19)21(13-47)24-25-23(22(14-48)31(24)37)29(35(39,40)41)27-26(30(25)36(42,43)44)28(32(38)34(27)52-4)33(51-3)18-6-16(12-46)8-20(10-18)50-2/h6-11H,1H3;6-11H,1H3;6-11H;5-10H/b27-23+,34-25+;26-23+,35-25+;26-23-,34-31-;24-21+,33-28-
InChIKeyBXIYJLALBIRHMG-MBCFQQEZSA-N
XLogP43.25
TPSA487.78 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002932.06
LogP ≤ 543.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze (3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile with MolForge

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Related Compounds

5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-2,4,6-trifluoro-7-isocyano-8-methyl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 164780557
5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-difluoro-7-isocyano-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(Z)-[(5Z)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis(trifluoromethoxy)-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(Z)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis(trifluoromethyl)-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;(3E,7E)-7-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-5,6-diisocyano-s-indacene-1,2-dicarbonitrile
CID 158632898
(3E,7E)-7-[cyano-(3,5-dicyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-6-isocyano-s-indacene-1,2,5-tricarbonitrile;(3Z,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-methyl-6-(trifluoromethoxy)-s-indacene-1,5-dicarbonitrile;(3Z,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-methyl-6-(trifluoromethyl)-s-indacene-1,5-dicarbonitrile
CID 158200858
(3E,7E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-7-[(3,5-dicyanophenyl)-isocyanomethylidene]-2,6-difluoro-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacene-1,5-dicarbonitrile
CID 155618528
(3E,7E)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-7-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-4,8-difluoro-5-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacene-1-carbonitrile
CID 159426763
5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 162030772
5-[(E)-cyano-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-5-isocyano-2,6-diphenyl-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile;5-[(E)-cyano-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-fluorophenyl)-5-isocyano-2,6-diphenyl-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile;5-[(E)-cyano-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-difluoro-5-isocyano-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile
CID 160556782
5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 153492806
5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-2,6-bis(4-fluorophenyl)-5-isocyano-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-2-(4-cyanophenyl)-5-isocyano-6-(4-isocyanophenyl)-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;4-[(3E,5E)-1-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-3-[(3,5-dicyanophenyl)-isocyanomethylidene]-6-(3,4-diisocyanophenyl)-7-isocyano-s-indacen-2-yl]benzene-1,2-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
CID 165054826
5-[(E)-cyano-[(7E)-3-cyano-7-[cyano-(3,5-diisocyanophenyl)methylidene]-5-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]methyl]benzene-1,3-dicarbonitrile
CID 153492814
(3E,5E)-3-[cyano-(3,5-dicyanophenyl)methylidene]-5-[(3,5-dicyanophenyl)-isocyanomethylidene]-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-s-indacene-1,7-dicarbonitrile
CID 160597213
(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-2,6-difluoro-7-isocyano-s-indacene-1-carbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-6,7-diisocyano-s-indacene-1,2-dicarbonitrile;(3E,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-bis(trifluoromethoxy)-s-indacene-1-carbonitrile;(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis(trifluoromethoxy)-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile
CID 165098958

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile?
The IUPAC name of (3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile (CID 157491763) is (3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile.
What is the SMILES notation for (3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile?
The canonical SMILES for (3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile is [C-]#[N+]C1=C(C)/C(=C(\[N+]#[C-])c2cc(C#N)cc([N+]#[C-])c2)c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)/C(=C(/C#N)c2cc(C#N)cc([N+]#[C-])c2)C(C(F)(F)F)=C1C#N.[C-]#[N+]C1=C(C)/C(=C(\[N+]#[C-])c2cc(C#N)cc([N+]#[C-])c2)c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)/C(=C(/C#N)c2cc(C#N)cc([N+]#[C-])c2)C(OC(F)(F)F)=C1C#N.[C-]#[N+]C1=C(F)/C(=C(\[N+]#[C-])c2cc(C#N)cc([N+]#[C-])c2)c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)/C(=C(/C#N)c2cc(C#N)cc([N+]#[C-])c2)C(F)=C1C#N.[C-]#[N+]C1=C([N+]#[C-])c2c(c(C(F)(F)F)c3c(c2C(F)(F)F)C(C#N)=C(C#N)/C3=C(\C#N)c2cc(C#N)cc([N+]#[C-])c2)/C1=C(/[N+]#[C-])c1cc(C#N)cc([N+]#[C-])c1.
What is the InChIKey of (3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile?
The InChIKey is BXIYJLALBIRHMG-MBCFQQEZSA-N. The full InChI is InChI=1S/C38H9F9N8O.C38H9F9N8.C38H6F6N10.C36H6F8N8/c1-16-25(34(55-5)20-7-18(13-49)9-22(11-20)53-3)28-30(33(16)54-4)31(36(39,40)41)26-24(15-51)35(56-38(45,46)47)27(29(26)32(28)37(42,43)44)23(14-50)19-6-17(12-48)8-21(10-19)52-2;1-16-25(35(55-5)20-7-18(13-49)9-22(11-20)53-3)28-30(34(16)54-4)32(37(42,43)44)27-24(15-51)31(36(39,40)41)26(29(27)33(28)38(45,46)47)23(14-50)19-6-17(12-48)8-21(10-19)52-2;1-50-21-8-17(12-45)6-19(10-21)23(14-47)26-24(15-48)25(16-49)27-28(26)33(38(42,43)44)29-30(32(27)37(39,40)41)35(53-4)36(54-5)31(29)34(52-3)20-7-18(13-46)9-22(11-20)51-2;1-49-19-7-15(11-45)5-17(9-19)21(13-47)24-25-23(22(14-48)31(24)37)29(35(39,40)41)27-26(30(25)36(42,43)44)28(32(38)34(27)52-4)33(51-3)18-6-16(12-46)8-20(10-18)50-2/h6-11H,1H3;6-11H,1H3;6-11H;5-10H/b27-23+,34-25+;26-23+,35-25+;26-23-,34-31-;24-21+,33-28-.
What are the key properties of (3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile?
(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile has a molecular weight of 2932.06 g/mol, XLogP of 43.25, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-2,6-difluoro-7-isocyano-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-6,7-diisocyano-4,8-bis(trifluoromethyl)-s-indacene-1,2-dicarbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2-(trifluoromethoxy)-4,8-bis(trifluoromethyl)-s-indacene-1-carbonitrile;(3Z,5Z)-3-[cyano-(3-cyano-5-isocyanophenyl)methylidene]-5-[(3-cyano-5-isocyanophenyl)-isocyanomethylidene]-7-isocyano-6-methyl-2,4,8-tris(trifluoromethyl)-s-indacene-1-carbonitrile is sourced from PubChem (CID 157491763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).