N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)

C256H181F9N18O18S22 — CID 164954905

IUPACN-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)
SMILESCC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CC1(C)C2=C(c3sc(/C=C4\C(=O)C(=O)c5ccccc54)cc31)C(C)(C)c1c2sc2cc(/C=C3\C(=O)C(=O)c4ccccc43)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5cc6cc7ccccc7cc6cc5C4=O)cc31)C(C)(C)c1c2sc2cc(C=C3C(=O)c4cc5cc6ccccc6cc5cc4C3=O)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5ccccc5C4=O)cc31)C(C)(C)c1c2sc2cc(C=C3C(=O)c4ccccc4C3=O)sc12.[C-]#[N+]C(=Nc1cc(OCCC)c(-c2cc3c(s2)C2=C(c4sc5cc(-c6sc(N=C(C#N)C#N)cc6OCCC)sc5c4C2(C)C)C3(C)C)s1)[N+]#[C-].[C-]#[N+]C(C#N)=C1C(=Nc2cc3sc4c(c3s2)C(C)(C)C2=C4C(C)(C)c3cc(N=C4C(=O)c5ccccc5/C4=C(/C#N)[N+]#[C-])sc32)C(=O)c2ccccc21.[C-]#[N+]C(C#N)=Nc1cc(OC)c(-c2cc3c(s2)C2=C(c4sc5cc(-c6sc(N=C(C#N)[N+]#[C-])cc6OC)sc5c4C2(C)C)C3(C)C)s1
InChIInChI=1S/C54H32O4S3.C42H22N6O2S3.C38H30N6O2S5.2C38H24O4S3.C34H22N6O2S5.3C2H3F3.3C2H6/c1-53(2)41-23-33(21-39-46(55)35-17-29-13-25-9-5-6-10-26(25)14-30(29)18-36(35)47(39)56)59-50(41)43-44(53)52-45(54(43,3)4)51-42(61-52)24-34(60-51)22-40-48(57)37-19-31-15-27-11-7-8-12-28(27)16-32(31)20-38(37)49(40)58;1-41(2)23-15-27(47-34-29(24(17-43)45-5)19-11-7-9-13-21(19)36(34)49)52-38(23)31-32(41)40-33(42(31,3)4)39-26(51-40)16-28(53-39)48-35-30(25(18-44)46-6)20-12-8-10-14-22(20)37(35)50;1-9-11-45-21-14-26(43-19(17-39)18-40)50-33(21)24-16-25-34(48-24)30-35(49-25)29-28(38(30,5)6)31-20(37(29,3)4)13-23(47-31)32-22(46-12-10-2)15-27(51-32)44-36(41-7)42-8;1-37(2)25-15-17(13-23-19-9-5-7-11-21(19)30(39)32(23)41)43-34(25)27-28(37)36-29(38(27,3)4)35-26(45-36)16-18(44-35)14-24-20-10-6-8-12-22(20)31(40)33(24)42;1-37(2)25-15-17(13-23-30(39)19-9-5-6-10-20(19)31(23)40)43-34(25)27-28(37)36-29(38(27,3)4)35-26(45-36)16-18(44-35)14-24-32(41)21-11-7-8-12-22(21)33(24)42;1-33(2)15-9-18(29-16(41-7)10-23(46-29)39-21(13-35)37-5)43-28(15)25-26(33)32-27(34(25,3)4)31-20(45-32)12-19(44-31)30-17(42-8)11-24(47-30)40-22(14-36)38-6;3*1-2(3,4)5;3*1-2/h5-24H,1-4H3;7-16H,1-4H3;13-16H,9-12H2,1-6H3;2*5-16H,1-4H3;9-12H,1-4,7-8H3;3*1H3;3*1-2H3/b;29-24+,30-25?,47-34?,48-35?;;23-13-,24-14-;;;;;;;;
InChIKeyBAVCVOFVEAMZHJ-QMAQQKAOSA-N
MW4673.83 g/mol
LogP74.61
Rot. Bonds24

About N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)

N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane) (PubChem CID 164954905) has the molecular formula C256H181F9N18O18S22 and a molecular weight of 4673.83 g/mol. Its IUPAC name is N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane).

Molecular Properties

Compound NameN-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)
PubChem CID164954905
Molecular FormulaC256H181F9N18O18S22
Molecular Weight4673.83 g/mol
Exact Mass4668.75
IUPAC NameN-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)
SMILESCC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CC1(C)C2=C(c3sc(/C=C4\C(=O)C(=O)c5ccccc54)cc31)C(C)(C)c1c2sc2cc(/C=C3\C(=O)C(=O)c4ccccc43)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5cc6cc7ccccc7cc6cc5C4=O)cc31)C(C)(C)c1c2sc2cc(C=C3C(=O)c4cc5cc6ccccc6cc5cc4C3=O)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5ccccc5C4=O)cc31)C(C)(C)c1c2sc2cc(C=C3C(=O)c4ccccc4C3=O)sc12.[C-]#[N+]C(=Nc1cc(OCCC)c(-c2cc3c(s2)C2=C(c4sc5cc(-c6sc(N=C(C#N)C#N)cc6OCCC)sc5c4C2(C)C)C3(C)C)s1)[N+]#[C-].[C-]#[N+]C(C#N)=C1C(=Nc2cc3sc4c(c3s2)C(C)(C)C2=C4C(C)(C)c3cc(N=C4C(=O)c5ccccc5/C4=C(/C#N)[N+]#[C-])sc32)C(=O)c2ccccc21.[C-]#[N+]C(C#N)=Nc1cc(OC)c(-c2cc3c(s2)C2=C(c4sc5cc(-c6sc(N=C(C#N)[N+]#[C-])cc6OC)sc5c4C2(C)C)C3(C)C)s1
InChIInChI=1S/C54H32O4S3.C42H22N6O2S3.C38H30N6O2S5.2C38H24O4S3.C34H22N6O2S5.3C2H3F3.3C2H6/c1-53(2)41-23-33(21-39-46(55)35-17-29-13-25-9-5-6-10-26(25)14-30(29)18-36(35)47(39)56)59-50(41)43-44(53)52-45(54(43,3)4)51-42(61-52)24-34(60-51)22-40-48(57)37-19-31-15-27-11-7-8-12-28(27)16-32(31)20-38(37)49(40)58;1-41(2)23-15-27(47-34-29(24(17-43)45-5)19-11-7-9-13-21(19)36(34)49)52-38(23)31-32(41)40-33(42(31,3)4)39-26(51-40)16-28(53-39)48-35-30(25(18-44)46-6)20-12-8-10-14-22(20)37(35)50;1-9-11-45-21-14-26(43-19(17-39)18-40)50-33(21)24-16-25-34(48-24)30-35(49-25)29-28(38(30,5)6)31-20(37(29,3)4)13-23(47-31)32-22(46-12-10-2)15-27(51-32)44-36(41-7)42-8;1-37(2)25-15-17(13-23-19-9-5-7-11-21(19)30(39)32(23)41)43-34(25)27-28(37)36-29(38(27,3)4)35-26(45-36)16-18(44-35)14-24-20-10-6-8-12-22(20)31(40)33(24)42;1-37(2)25-15-17(13-23-30(39)19-9-5-6-10-20(19)31(23)40)43-34(25)27-28(37)36-29(38(27,3)4)35-26(45-36)16-18(44-35)14-24-32(41)21-11-7-8-12-22(21)33(24)42;1-33(2)15-9-18(29-16(41-7)10-23(46-29)39-21(13-35)37-5)43-28(15)25-26(33)32-27(34(25,3)4)31-20(45-32)12-19(44-31)30-17(42-8)11-24(47-30)40-22(14-36)38-6;3*1-2(3,4)5;3*1-2/h5-24H,1-4H3;7-16H,1-4H3;13-16H,9-12H2,1-6H3;2*5-16H,1-4H3;9-12H,1-4,7-8H3;3*1H3;3*1-2H3/b;29-24+,30-25?,47-34?,48-35?;;23-13-,24-14-;;;;;;;;
InChIKeyBAVCVOFVEAMZHJ-QMAQQKAOSA-N
XLogP74.61
TPSA518.96 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds24
Heavy Atoms323
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004673.83
LogP ≤ 574.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

Analyze N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane) with MolForge

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Related Compounds

CID 164948580
CID 164948580
CID 164951359
CID 164951359
(2E)-2-[(2Z)-2-[[4-[(Z)-[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]methyl]spiro[3,7,14-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-10,1'-cyclohexane]-11-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;N-[5-[11-[5-(dicyanomethylideneamino)-3-methoxythiophen-2-yl]-10,10-dimethyl-3,7,14-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[4-[(1,3-dioxoinden-2-ylidene)methyl]spiro[3,7,14-trithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene-10,1'-cyclohexane]-11-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)
CID 164952219
CID 164952417
CID 164952417
CID 164958241
CID 164958241
CID 164960803
CID 164960803
CID 164961476
CID 164961476
CID 164961635
CID 164961635
CID 164964394
CID 164964394
CID 164967788
CID 164967788
CID 164975149
CID 164975149
2-[2-[[17-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-9,9,20,20-tetramethyl-5,16-dithiahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-2,4(8),6,10,13,15(19),17,21-octaen-6-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[5-[17-[5-(diisocyanomethylideneamino)-3-methoxythiophen-2-yl]-9,9,20,20-tetramethyl-5,16-dithiahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-2,4(8),6,10,13,15(19),17,21-octaen-6-yl]-4-methoxythiophen-2-yl]iminopropanedinitrile;(3Z)-3-[[17-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-9,9,20,20-tetramethyl-5,16-dithiahexacyclo[10.10.0.03,10.04,8.014,21.015,19]docosa-2,4(8),6,10,13,15(19),17,21-octaen-6-yl]methylidene]indene-1,2-dione;ethane;1,1,1-trifluoroethane
CID 164975309

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)?
The IUPAC name of N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane) (CID 164954905) is N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane).
What is the SMILES notation for N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)?
The canonical SMILES for N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane) is CC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CC1(C)C2=C(c3sc(/C=C4\C(=O)C(=O)c5ccccc54)cc31)C(C)(C)c1c2sc2cc(/C=C3\C(=O)C(=O)c4ccccc43)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5cc6cc7ccccc7cc6cc5C4=O)cc31)C(C)(C)c1c2sc2cc(C=C3C(=O)c4cc5cc6ccccc6cc5cc4C3=O)sc12.CC1(C)C2=C(c3sc(C=C4C(=O)c5ccccc5C4=O)cc31)C(C)(C)c1c2sc2cc(C=C3C(=O)c4ccccc4C3=O)sc12.[C-]#[N+]C(=Nc1cc(OCCC)c(-c2cc3c(s2)C2=C(c4sc5cc(-c6sc(N=C(C#N)C#N)cc6OCCC)sc5c4C2(C)C)C3(C)C)s1)[N+]#[C-].[C-]#[N+]C(C#N)=C1C(=Nc2cc3sc4c(c3s2)C(C)(C)C2=C4C(C)(C)c3cc(N=C4C(=O)c5ccccc5/C4=C(/C#N)[N+]#[C-])sc32)C(=O)c2ccccc21.[C-]#[N+]C(C#N)=Nc1cc(OC)c(-c2cc3c(s2)C2=C(c4sc5cc(-c6sc(N=C(C#N)[N+]#[C-])cc6OC)sc5c4C2(C)C)C3(C)C)s1.
What is the InChIKey of N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)?
The InChIKey is BAVCVOFVEAMZHJ-QMAQQKAOSA-N. The full InChI is InChI=1S/C54H32O4S3.C42H22N6O2S3.C38H30N6O2S5.2C38H24O4S3.C34H22N6O2S5.3C2H3F3.3C2H6/c1-53(2)41-23-33(21-39-46(55)35-17-29-13-25-9-5-6-10-26(25)14-30(29)18-36(35)47(39)56)59-50(41)43-44(53)52-45(54(43,3)4)51-42(61-52)24-34(60-51)22-40-48(57)37-19-31-15-27-11-7-8-12-28(27)16-32(31)20-38(37)49(40)58;1-41(2)23-15-27(47-34-29(24(17-43)45-5)19-11-7-9-13-21(19)36(34)49)52-38(23)31-32(41)40-33(42(31,3)4)39-26(51-40)16-28(53-39)48-35-30(25(18-44)46-6)20-12-8-10-14-22(20)37(35)50;1-9-11-45-21-14-26(43-19(17-39)18-40)50-33(21)24-16-25-34(48-24)30-35(49-25)29-28(38(30,5)6)31-20(37(29,3)4)13-23(47-31)32-22(46-12-10-2)15-27(51-32)44-36(41-7)42-8;1-37(2)25-15-17(13-23-19-9-5-7-11-21(19)30(39)32(23)41)43-34(25)27-28(37)36-29(38(27,3)4)35-26(45-36)16-18(44-35)14-24-20-10-6-8-12-22(20)31(40)33(24)42;1-37(2)25-15-17(13-23-30(39)19-9-5-6-10-20(19)31(23)40)43-34(25)27-28(37)36-29(38(27,3)4)35-26(45-36)16-18(44-35)14-24-32(41)21-11-7-8-12-22(21)33(24)42;1-33(2)15-9-18(29-16(41-7)10-23(46-29)39-21(13-35)37-5)43-28(15)25-26(33)32-27(34(25,3)4)31-20(45-32)12-19(44-31)30-17(42-8)11-24(47-30)40-22(14-36)38-6;3*1-2(3,4)5;3*1-2/h5-24H,1-4H3;7-16H,1-4H3;13-16H,9-12H2,1-6H3;2*5-16H,1-4H3;9-12H,1-4,7-8H3;3*1H3;3*1-2H3/b;29-24+,30-25?,47-34?,48-35?;;23-13-,24-14-;;;;;;;;.
What are the key properties of N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane)?
N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane) has a molecular weight of 4673.83 g/mol, XLogP of 74.61, 24 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[5-[14-[5-(diisocyanomethylideneamino)-3-propoxythiophen-2-yl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-4-propoxythiophen-2-yl]iminopropanedinitrile;2-[[6-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-10,10,17,17-tetramethyl-3,7,13-trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;tris(1,1,1-trifluoroethane) is sourced from PubChem (CID 164954905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).