(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

C166H36F20N40O4 — CID 165098958

IUPAC(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
SMILES[C-]#[N+]C1=C(F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(OC(F)(F)F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(OC(F)(F)F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C([N+]#[C-])c2cc3c(cc2/C1=C(\C#N)[N+]#[C-])/C(=C(/C#N)[N+]#[C-])C(C#N)=C3C#N.[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(OC(F)(F)F)c3c(c(OC(F)(F)F)c21)C(C#N)=C(c1ccccc1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)[N+]#[C-])c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)/C(=C(/C#N)[N+]#[C-])C(c2ccccc2)=C1C#N
InChIInChI=1S/C34H10F6N6O2.C34H10F6N6.C34H10N8.C22H2F6N6O2.C22H2N8.C20H2F2N6/c1-44-20(15-42)25-22(17-10-6-4-7-11-17)19(14-41)24-27(25)32(48-34(38,39)40)28-26(21(16-43)45-2)23(18-12-8-5-9-13-18)30(46-3)29(28)31(24)47-33(35,36)37;1-44-20(15-42)25-22(17-10-6-4-7-11-17)19(14-41)24-27(25)31(34(38,39)40)28-26(21(16-43)45-2)23(18-12-8-5-9-13-18)32(46-3)29(28)30(24)33(35,36)37;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;1-32-14(7-30)16-10-5-11-12(4-9(10)13(6-29)19(16)35-21(23,24)25)18(34-3)20(36-22(26,27)28)17(11)15(8-31)33-2;1-27-17(9-25)19-12-6-13-14(5-11(12)15(7-23)16(19)8-24)21(29-3)22(30-4)20(13)18(10-26)28-2;1-26-14(7-24)16-10-5-11-12(4-9(10)13(6-23)18(16)21)20(28-3)19(22)17(11)15(8-25)27-2/h4-13H;4-13H;4-13H;4-5H;5-6H;4-5H/b2*25-20-,26-21+;32-24-,33-25+;16-14+,17-15-;19-17+,20-18-;16-14+,17-15-
InChIKeyXZPUUAWPDOVYLI-YSRGXXGJSA-N
MW3034.35 g/mol
LogP40.34
Rot. Bonds10

About (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

(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 (PubChem CID 165098958) has the molecular formula C166H36F20N40O4 and a molecular weight of 3034.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID165098958
Molecular FormulaC166H36F20N40O4
Molecular Weight3034.35 g/mol
Exact Mass3032.35
IUPAC Name(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
SMILES[C-]#[N+]C1=C(F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(OC(F)(F)F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(OC(F)(F)F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C([N+]#[C-])c2cc3c(cc2/C1=C(\C#N)[N+]#[C-])/C(=C(/C#N)[N+]#[C-])C(C#N)=C3C#N.[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(OC(F)(F)F)c3c(c(OC(F)(F)F)c21)C(C#N)=C(c1ccccc1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)[N+]#[C-])c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)/C(=C(/C#N)[N+]#[C-])C(c2ccccc2)=C1C#N
InChIInChI=1S/C34H10F6N6O2.C34H10F6N6.C34H10N8.C22H2F6N6O2.C22H2N8.C20H2F2N6/c1-44-20(15-42)25-22(17-10-6-4-7-11-17)19(14-41)24-27(25)32(48-34(38,39)40)28-26(21(16-43)45-2)23(18-12-8-5-9-13-18)30(46-3)29(28)31(24)47-33(35,36)37;1-44-20(15-42)25-22(17-10-6-4-7-11-17)19(14-41)24-27(25)31(34(38,39)40)28-26(21(16-43)45-2)23(18-12-8-5-9-13-18)32(46-3)29(28)30(24)33(35,36)37;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;1-32-14(7-30)16-10-5-11-12(4-9(10)13(6-29)19(16)35-21(23,24)25)18(34-3)20(36-22(26,27)28)17(11)15(8-31)33-2;1-27-17(9-25)19-12-6-13-14(5-11(12)15(7-23)16(19)8-24)21(29-3)22(30-4)20(13)18(10-26)28-2;1-26-14(7-24)16-10-5-11-12(4-9(10)13(6-23)18(16)21)20(28-3)19(22)17(11)15(8-25)27-2/h4-13H;4-13H;4-13H;4-5H;5-6H;4-5H/b2*25-20-,26-21+;32-24-,33-25+;16-14+,17-15-;19-17+,20-18-;16-14+,17-15-
InChIKeyXZPUUAWPDOVYLI-YSRGXXGJSA-N
XLogP40.34
TPSA619.35 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003034.35
LogP ≤ 540.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze (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 with MolForge

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Related Compounds

(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-4,8-difluoro-2,6-diphenyl-s-indacene-1,5-dicarbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2,6-diphenyl-4,8-bis(trifluoromethoxy)-s-indacene-1,5-dicarbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2,6-diphenyl-4,8-bis(trifluoromethyl)-s-indacene-1,5-dicarbonitrile;(3Z,7E)-3,7-bis[cyano(isocyano)methylidene]-2,6-diphenyl-s-indacene-1,4,5,8-tetracarbonitrile;(3Z,7E)-3,7-bis[cyano(isocyano)methylidene]-2,6-di(pyrimidin-2-yl)-s-indacene-1,5-dicarbonitrile
CID 159801933
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
(3Z,7E)-3,7-bis[cyano(isocyano)methylidene]-2,6-bis(trifluoromethoxy)-s-indacene-1,5-dicarbonitrile;(3Z,7Z)-3,7-bis[cyano(isocyano)methylidene]-4,8-difluoro-6-isocyano-s-indacene-1,2,5-tricarbonitrile;(3Z,7E)-3,7-bis[cyano(isocyano)methylidene]-2,6-difluoro-s-indacene-1,5-dicarbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-6-isocyano-s-indacene-1,2,4,5,8-pentacarbonitrile;(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-6-isocyano-s-indacene-1,2,5-tricarbonitrile
CID 158512252
(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 159755597
(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-7-isocyano-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile
CID 153489519
(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-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;(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 165008648
(3Z,5Z)-3,5-bis[cyano(isocyano)methylidene]-2,6-bis(2,6-difluoro-4-pyridinyl)-7-isocyano-s-indacene-1,4,8-tricarbonitrile
CID 171763983
(3Z,7E)-7-[cyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]-5-isocyano-3-[isocyano-(2,3,5,6-tetrafluoro-4-pyridinyl)methylidene]-2,6-diphenyl-s-indacene-1,4,8-tricarbonitrile
CID 153489484
(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-2,6-diphenyl-s-indacene-1,7-dicarbonitrile
CID 155618527
(3E,7Z)-3,7-bis[cyano(isocyano)methylidene]-2-(4-cyano-2,3,5-trifluorophenyl)-5-isocyano-6-(2,3,5-trifluoro-4-isocyanophenyl)-s-indacene-1,4,8-tricarbonitrile
CID 171766803
(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-4,8-difluoro-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-s-indacene-1-carbonitrile
CID 157401923
(3Z,5E)-3,5-bis[cyano(isocyano)methylidene]-2,6-bis(3,4-difluorophenyl)-4,8-difluoro-7-isocyano-s-indacene-1-carbonitrile
CID 171763991

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is [C-]#[N+]C1=C(F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(OC(F)(F)F)/C(=C(/C#N)[N+]#[C-])c2cc3c(cc21)C(C#N)=C(OC(F)(F)F)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C([N+]#[C-])c2cc3c(cc2/C1=C(\C#N)[N+]#[C-])/C(=C(/C#N)[N+]#[C-])C(C#N)=C3C#N.[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(OC(F)(F)F)c3c(c(OC(F)(F)F)c21)C(C#N)=C(c1ccccc1)/C3=C(\C#N)[N+]#[C-].[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)[N+]#[C-])c2c1c(C(F)(F)F)c1c(c2C(F)(F)F)/C(=C(/C#N)[N+]#[C-])C(c2ccccc2)=C1C#N.
What is the InChIKey of (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?
The InChIKey is XZPUUAWPDOVYLI-YSRGXXGJSA-N. The full InChI is InChI=1S/C34H10F6N6O2.C34H10F6N6.C34H10N8.C22H2F6N6O2.C22H2N8.C20H2F2N6/c1-44-20(15-42)25-22(17-10-6-4-7-11-17)19(14-41)24-27(25)32(48-34(38,39)40)28-26(21(16-43)45-2)23(18-12-8-5-9-13-18)30(46-3)29(28)31(24)47-33(35,36)37;1-44-20(15-42)25-22(17-10-6-4-7-11-17)19(14-41)24-27(25)31(34(38,39)40)28-26(21(16-43)45-2)23(18-12-8-5-9-13-18)32(46-3)29(28)30(24)33(35,36)37;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;1-32-14(7-30)16-10-5-11-12(4-9(10)13(6-29)19(16)35-21(23,24)25)18(34-3)20(36-22(26,27)28)17(11)15(8-31)33-2;1-27-17(9-25)19-12-6-13-14(5-11(12)15(7-23)16(19)8-24)21(29-3)22(30-4)20(13)18(10-26)28-2;1-26-14(7-24)16-10-5-11-12(4-9(10)13(6-23)18(16)21)20(28-3)19(22)17(11)15(8-25)27-2/h4-13H;4-13H;4-13H;4-5H;5-6H;4-5H/b2*25-20-,26-21+;32-24-,33-25+;16-14+,17-15-;19-17+,20-18-;16-14+,17-15-.
What are the key properties of (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?
(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 has a molecular weight of 3034.35 g/mol, XLogP of 40.34, 10 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 165098958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).