(2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile

C312H356F8N14O20S24 — CID 159637663

About (2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile

(2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile (PubChem CID 159637663) has the molecular formula C312H356F8N14O20S24 and a molecular weight of 5543.95 g/mol. Its IUPAC name is (2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile.

Molecular Properties

• Compound Name: (2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile
• PubChem CID: 159637663
• Molecular Formula: C312H356F8N14O20S24
• Molecular Weight: 5543.95 g/mol
• Exact Mass: 5538.04
• IUPAC Name: (2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile
• SMILES: [C-]#[N+]/C(C#N)=C1C(=C/c2sc3c(OC)c(-c4cc5sc6c(c5s4)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)Oc4c-6sc5c6c(sc45)-c4sc5cc(-c7sc8c(OC)c(CC9C(=O)c%10cc(F)c(F)cc%10/C9=C(\C#N)[N+]#[C-])sc8c7OC)sc5c4C(CCCCCCCCCCCC)(CCCCCCCCCCCC)O6)sc3c2OC)/C(=O)c2cc(F)c(F)cc2/1.[C-]#[N+]/C(C#N)=C1C(=C\c2cc(OC)c(-c3cc4c(s3)-c3sc5c6c(sc5c3OC4(CCCCCCCCCCCC)CCCCCCCCCCCC)-c3sc(-c4sc(/C=C5\C(=O)c7cc(F)c(F)cc7\C5=C(\C#N)[N+]#[C-])cc4OC)cc3C(CCCCCCCCCCCC)(CCCCCCCCCCCC)O6)s2)\C(=O)c2cc(F)c(F)cc2\1.[C-]#[N+]C([N+]#[C-])=C1/C(=C/c2cc(OC)c(-c3cc4sc5c(c4s3)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)Oc3c-5sc4c5c(sc34)-c3sc4cc(-c6sc(/C=C7\C(=O)c8cnccc8C7=C(C#N)C#N)cc6OC)sc4c3C(CCCCCCCCCCCC)(CCCCCCCCCCCC)O5)s2)C(=O)c2cnccc21
• InChI: InChI=1S/C110H122F4N4O8S10.C102H118N6O6S8.C100H116F4N4O6S6/c1-11-15-19-23-27-31-35-39-43-47-51-109(52-48-44-40-36-32-28-24-20-16-12-2)85-95-79(61-81(129-95)97-91(123-9)103-101(133-97)89(121-7)77(127-103)59-69-83(75(63-115)117-5)65-55-71(111)73(113)57-67(65)87(69)119)131-99(85)105-93(125-109)107-108(135-105)94-106(136-107)100-86(110(126-94,53-49-45-41-37-33-29-25-21-17-13-3)54-50-46-42-38-34-30-26-22-18-14-4)96-80(132-100)62-82(130-96)98-92(124-10)104-102(134-98)90(122-8)78(128-104)60-70-84(76(64-116)118-6)66-56-72(112)74(114)58-68(66)88(70)120;1-9-13-17-21-25-29-33-37-41-45-51-101(52-46-42-38-34-30-26-22-18-14-10-2)84-92-80(61-78(117-92)90-76(111-7)59-68(115-90)57-72-82(67(63-103)64-104)70-49-55-107-65-74(70)86(72)109)119-94(84)96-88(113-101)98-99(121-96)89-97(122-98)95-85(102(114-89,53-47-43-39-35-31-27-23-19-15-11-3)54-48-44-40-36-32-28-24-20-16-12-4)93-81(120-95)62-79(118-93)91-77(112-8)60-69(116-91)58-73-83(100(105-5)106-6)71-50-56-108-66-75(71)87(73)110;1-9-13-17-21-25-29-33-37-41-45-49-99(50-46-42-38-34-30-26-22-18-14-10-2)73-61-83(93-81(111-7)55-65(115-93)53-71-85(79(63-105)107-5)67-57-75(101)77(103)59-69(67)87(71)109)117-91(73)95-89(113-99)97-98(119-95)90-96(120-97)92-74(100(114-90,51-47-43-39-35-31-27-23-19-15-11-3)52-48-44-40-36-32-28-24-20-16-12-4)62-84(118-92)94-82(112-8)56-66(116-94)54-72-86(80(64-106)108-6)68-58-76(102)78(104)60-70(68)88(72)110/h55-59,61-62,70H,11-54,60H2,1-4,7-10H3;49-50,55-62,65-66H,9-48,51-54H2,1-4,7-8H3;53-62H,9-52H2,1-4,7-8H3/b69-59-,83-75+,84-76-;72-57-,73-58-;71-53-,72-54-,85-79-,86-80+
• InChIKey: MPYGEYILBYOEOQ-FABFJAFJSA-N
• XLogP: 106.53
• TPSA: 426.32 Ų
• H-Bond Acceptors: 52
• Rotatable Bonds: 153
• Heavy Atoms: 378
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5543.95
LogP ≤ 5	106.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile?

The IUPAC name of (2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile (CID 159637663) is (2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile.

What is the SMILES notation for (2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile?

The canonical SMILES for (2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile is [C-]#[N+]/C(C#N)=C1C(=C/c2sc3c(OC)c(-c4cc5sc6c(c5s4)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)Oc4c-6sc5c6c(sc45)-c4sc5cc(-c7sc8c(OC)c(CC9C(=O)c%10cc(F)c(F)cc%10/C9=C(\C#N)[N+]#[C-])sc8c7OC)sc5c4C(CCCCCCCCCCCC)(CCCCCCCCCCCC)O6)sc3c2OC)/C(=O)c2cc(F)c(F)cc2/1.[C-]#[N+]/C(C#N)=C1C(=C\c2cc(OC)c(-c3cc4c(s3)-c3sc5c6c(sc5c3OC4(CCCCCCCCCCCC)CCCCCCCCCCCC)-c3sc(-c4sc(/C=C5\C(=O)c7cc(F)c(F)cc7\C5=C(\C#N)[N+]#[C-])cc4OC)cc3C(CCCCCCCCCCCC)(CCCCCCCCCCCC)O6)s2)\C(=O)c2cc(F)c(F)cc2\1.[C-]#[N+]C([N+]#[C-])=C1/C(=C/c2cc(OC)c(-c3cc4sc5c(c4s3)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)Oc3c-5sc4c5c(sc34)-c3sc4cc(-c6sc(/C=C7\C(=O)c8cnccc8C7=C(C#N)C#N)cc6OC)sc4c3C(CCCCCCCCCCCC)(CCCCCCCCCCCC)O5)s2)C(=O)c2cnccc21.

What is the InChIKey of (2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile?

The InChIKey is MPYGEYILBYOEOQ-FABFJAFJSA-N. The full InChI is InChI=1S/C110H122F4N4O8S10.C102H118N6O6S8.C100H116F4N4O6S6/c1-11-15-19-23-27-31-35-39-43-47-51-109(52-48-44-40-36-32-28-24-20-16-12-2)85-95-79(61-81(129-95)97-91(123-9)103-101(133-97)89(121-7)77(127-103)59-69-83(75(63-115)117-5)65-55-71(111)73(113)57-67(65)87(69)119)131-99(85)105-93(125-109)107-108(135-105)94-106(136-107)100-86(110(126-94,53-49-45-41-37-33-29-25-21-17-13-3)54-50-46-42-38-34-30-26-22-18-14-4)96-80(132-100)62-82(130-96)98-92(124-10)104-102(134-98)90(122-8)78(128-104)60-70-84(76(64-116)118-6)66-56-72(112)74(114)58-68(66)88(70)120;1-9-13-17-21-25-29-33-37-41-45-51-101(52-46-42-38-34-30-26-22-18-14-10-2)84-92-80(61-78(117-92)90-76(111-7)59-68(115-90)57-72-82(67(63-103)64-104)70-49-55-107-65-74(70)86(72)109)119-94(84)96-88(113-101)98-99(121-96)89-97(122-98)95-85(102(114-89,53-47-43-39-35-31-27-23-19-15-11-3)54-48-44-40-36-32-28-24-20-16-12-4)93-81(120-95)62-79(118-93)91-77(112-8)60-69(116-91)58-73-83(100(105-5)106-6)71-50-56-108-66-75(71)87(73)110;1-9-13-17-21-25-29-33-37-41-45-49-99(50-46-42-38-34-30-26-22-18-14-10-2)73-61-83(93-81(111-7)55-65(115-93)53-71-85(79(63-105)107-5)67-57-75(101)77(103)59-69(67)87(71)109)117-91(73)95-89(113-99)97-98(119-95)90-96(120-97)92-74(100(114-90,51-47-43-39-35-31-27-23-19-15-11-3)52-48-44-40-36-32-28-24-20-16-12-4)62-84(118-92)94-82(112-8)56-66(116-94)54-72-86(80(64-106)108-6)68-58-76(102)78(104)60-70(68)88(72)110/h55-59,61-62,70H,11-54,60H2,1-4,7-10H3;49-50,55-62,65-66H,9-48,51-54H2,1-4,7-8H3;53-62H,9-52H2,1-4,7-8H3/b69-59-,83-75+,84-76-;72-57-,73-58-;71-53-,72-54-,85-79-,86-80+.

What are the key properties of (2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile?

(2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile has a molecular weight of 5543.95 g/mol, XLogP of 106.53, 153 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[2-[[5-[22-[2-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3,6-dimethoxythieno[3,2-b]thiophen-5-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-3,6-dimethoxythieno[3,2-b]thiophen-2-yl]methyl]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-2-[[5-[18-[5-[(Z)-[(1E)-1-[cyano(isocyano)methylidene]-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,15,15-tetradodecyl-3,14-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]-4-methoxythiophen-2-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[(6Z)-6-[[5-[22-[5-[(Z)-[5-(diisocyanomethylidene)-7-oxocyclopenta[c]pyridin-6-ylidene]methyl]-3-methoxythiophen-2-yl]-4,4,18,18-tetradodecyl-3,17-dioxa-7,11,14,21,25,28-hexathiaoctacyclo[13.13.0.02,13.05,12.06,10.016,27.019,26.020,24]octacosa-1(15),2(13),5(12),6(10),8,16(27),19(26),20(24),22-nonaen-8-yl]-4-methoxythiophen-2-yl]methylidene]-7-oxocyclopenta[c]pyridin-5-ylidene]propanedinitrile is sourced from PubChem (CID 159637663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).