2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane)

C251H170F6N18O28S23 — CID 165089376

About 2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane)

2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane) (PubChem CID 165089376) has the molecular formula C251H170F6N18O28S23 and a molecular weight of 4737.75 g/mol. Its IUPAC name is 2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane).

Molecular Properties

• Compound Name: 2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane)
• PubChem CID: 165089376
• Molecular Formula: C251H170F6N18O28S23
• Molecular Weight: 4737.75 g/mol
• Exact Mass: 4732.59
• IUPAC Name: 2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane)
• SMILES: CC.CC.CC(F)(F)F.CC(F)(F)F.CC1(C)Oc2cc(C=C3C(=O)c4cc5cc6ccccc6cc5cc4C3=O)sc2-c2sc3c4c(sc3c21)-c1sc(C=C2C(=O)c3cc5cc6ccccc6cc5cc3C2=O)cc1OC4(C)C.CC1(C)Oc2cc(C=C3C(=O)c4ccccc4C3=O)sc2-c2sc3c4c(sc3c21)-c1sc(C=C2C(=O)c3ccccc3C2=O)cc1OC4(C)C.CCN1C(=O)C(=Nc2cc3c(s2)-c2sc4c5c(sc4c2C(C)(C)O3)-c2sc(N=C3SC(=C(C#N)C#N)N(CC)C3=O)cc2OC5(C)C)SC1=S.Cn1c2cc3c4sc(C=C5C(=O)c6ccccc6C5=O)cc4n(C)c3cc2c2sc(C=C3C(=O)c4ccccc4C3=O)cc21.Cn1c2cc3c4sc(N=C5C(=O)C6CCCCC6C5=O)cc4n(C)c3cc2c2sc(N=C3C(=O)C4CCCCC4C3=O)cc21.[C-]#[N+]C(C#N)=C1C(=Nc2cc3c(s2)-c2sc4c5c(sc4c2C(C)(C)O3)-c2sc(N=C3C(=O)c4ccccc4C3=C(C#N)C#N)cc2OC5(C)C)C(=O)c2ccccc21
• InChI: InChI=1S/C56H32O6S4.C44H22N6O4S4.C40H24O6S4.C36H20N2O4S2.C34H30N4O4S2.C33H24N6O4S7.2C2H3F3.2C2H6/c1-55(2)43-51(49-41(61-55)23-33(63-49)21-39-45(57)35-17-29-13-25-9-5-6-10-26(25)14-30(29)18-36(35)46(39)58)65-54-44-52(66-53(43)54)50-42(62-56(44,3)4)24-34(64-50)22-40-47(59)37-19-31-15-27-11-7-8-12-28(27)16-32(31)20-38(37)48(40)60;1-43(2)31-39(37-25(53-43)14-27(55-37)49-33-29(19(16-45)17-46)20-10-6-8-12-22(20)35(33)51)57-42-32-40(58-41(31)42)38-26(54-44(32,3)4)15-28(56-38)50-34-30(24(18-47)48-5)21-11-7-9-13-23(21)36(34)52;1-39(2)27-35(33-25(45-39)15-17(47-33)13-23-29(41)19-9-5-6-10-20(19)30(23)42)49-38-28-36(50-37(27)38)34-26(46-40(28,3)4)16-18(48-34)14-24-31(43)21-11-7-8-12-22(21)32(24)44;1-37-27-15-24-28(38(2)30-14-18(44-36(24)30)12-26-33(41)21-9-5-6-10-22(21)34(26)42)16-23(27)35-29(37)13-17(43-35)11-25-31(39)19-7-3-4-8-20(19)32(25)40;1-37-21-11-20-22(38(2)24-14-26(44-34(20)24)36-28-31(41)17-9-5-6-10-18(17)32(28)42)12-19(21)33-23(37)13-25(43-33)35-27-29(39)15-7-3-4-8-16(15)30(27)40;1-7-38-28(40)26(49-30(38)13(11-34)12-35)36-16-9-14-20(45-16)22-18(32(3,4)42-14)24-25(47-22)19-23(48-24)21-15(43-33(19,5)6)10-17(46-21)37-27-29(41)39(8-2)31(44)50-27;2*1-2(3,4)5;2*1-2/h5-24H,1-4H3;6-15H,1-4H3;5-16H,1-4H3;3-16H,1-2H3;11-18H,3-10H2,1-2H3;9-10H,7-8H2,1-6H3;2*1H3;2*1-2H3
• InChIKey: NBEHWRHQLISJOY-UHFFFAOYSA-N
• XLogP: 67.22
• TPSA: 638.91 Ų
• H-Bond Acceptors: 66
• Rotatable Bonds: 14
• Heavy Atoms: 326
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4737.75
LogP ≤ 5	67.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	66

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane)?

The IUPAC name of 2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane) (CID 165089376) is 2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane).

What is the SMILES notation for 2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane)?

The canonical SMILES for 2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane) is CC.CC.CC(F)(F)F.CC(F)(F)F.CC1(C)Oc2cc(C=C3C(=O)c4cc5cc6ccccc6cc5cc4C3=O)sc2-c2sc3c4c(sc3c21)-c1sc(C=C2C(=O)c3cc5cc6ccccc6cc5cc3C2=O)cc1OC4(C)C.CC1(C)Oc2cc(C=C3C(=O)c4ccccc4C3=O)sc2-c2sc3c4c(sc3c21)-c1sc(C=C2C(=O)c3ccccc3C2=O)cc1OC4(C)C.CCN1C(=O)C(=Nc2cc3c(s2)-c2sc4c5c(sc4c2C(C)(C)O3)-c2sc(N=C3SC(=C(C#N)C#N)N(CC)C3=O)cc2OC5(C)C)SC1=S.Cn1c2cc3c4sc(C=C5C(=O)c6ccccc6C5=O)cc4n(C)c3cc2c2sc(C=C3C(=O)c4ccccc4C3=O)cc21.Cn1c2cc3c4sc(N=C5C(=O)C6CCCCC6C5=O)cc4n(C)c3cc2c2sc(N=C3C(=O)C4CCCCC4C3=O)cc21.[C-]#[N+]C(C#N)=C1C(=Nc2cc3c(s2)-c2sc4c5c(sc4c2C(C)(C)O3)-c2sc(N=C3C(=O)c4ccccc4C3=C(C#N)C#N)cc2OC5(C)C)C(=O)c2ccccc21.

What is the InChIKey of 2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane)?

The InChIKey is NBEHWRHQLISJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O6S4.C44H22N6O4S4.C40H24O6S4.C36H20N2O4S2.C34H30N4O4S2.C33H24N6O4S7.2C2H3F3.2C2H6/c1-55(2)43-51(49-41(61-55)23-33(63-49)21-39-45(57)35-17-29-13-25-9-5-6-10-26(25)14-30(29)18-36(35)46(39)58)65-54-44-52(66-53(43)54)50-42(62-56(44,3)4)24-34(64-50)22-40-47(59)37-19-31-15-27-11-7-8-12-28(27)16-32(31)20-38(37)48(40)60;1-43(2)31-39(37-25(53-43)14-27(55-37)49-33-29(19(16-45)17-46)20-10-6-8-12-22(20)35(33)51)57-42-32-40(58-41(31)42)38-26(54-44(32,3)4)15-28(56-38)50-34-30(24(18-47)48-5)21-11-7-9-13-23(21)36(34)52;1-39(2)27-35(33-25(45-39)15-17(47-33)13-23-29(41)19-9-5-6-10-20(19)30(23)42)49-38-28-36(50-37(27)38)34-26(46-40(28,3)4)16-18(48-34)14-24-31(43)21-11-7-8-12-22(21)32(24)44;1-37-27-15-24-28(38(2)30-14-18(44-36(24)30)12-26-33(41)21-9-5-6-10-22(21)34(26)42)16-23(27)35-29(37)13-17(43-35)11-25-31(39)19-7-3-4-8-20(19)32(25)40;1-37-21-11-20-22(38(2)24-14-26(44-34(20)24)36-28-31(41)17-9-5-6-10-18(17)32(28)42)12-19(21)33-23(37)13-25(43-33)35-27-29(39)15-7-3-4-8-16(15)30(27)40;1-7-38-28(40)26(49-30(38)13(11-34)12-35)36-16-9-14-20(45-16)22-18(32(3,4)42-14)24-25(47-22)19-23(48-24)21-15(43-33(19,5)6)10-17(46-21)37-27-29(41)39(8-2)31(44)50-27;2*1-2(3,4)5;2*1-2/h5-24H,1-4H3;6-15H,1-4H3;5-16H,1-4H3;3-16H,1-2H3;11-18H,3-10H2,1-2H3;9-10H,7-8H2,1-6H3;2*1H3;2*1-2H3.

What are the key properties of 2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane)?

2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane) has a molecular weight of 4737.75 g/mol, XLogP of 67.22, 14 rotatable bonds, 0 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[18-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[15-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[18-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[15-[(1,3-dioxoinden-2-ylidene)methyl]-9,18-dimethyl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl]methylidene]indene-1,3-dione;2-[[18-[(1,3-dioxoinden-2-ylidene)methyl]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]methylidene]indene-1,3-dione;ethane;2-[3-ethyl-5-[[18-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-3,3,14,14-tetramethyl-4,15-dioxa-8,11,19,22-tetrathiahexacyclo[10.10.0.02,10.05,9.013,21.016,20]docosa-1(12),2(10),5(9),6,13(21),16(20),17-heptaen-7-yl]imino]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile;bis(1,1,1-trifluoroethane) is sourced from PubChem (CID 165089376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).