(2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile

C365H368F4N24O7S19 — CID 161204569

About (2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile

(2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile (PubChem CID 161204569) has the molecular formula C365H368F4N24O7S19 and a molecular weight of 5888.39 g/mol. Its IUPAC name is (2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile.

Molecular Properties

• Compound Name: (2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile
• PubChem CID: 161204569
• Molecular Formula: C365H368F4N24O7S19
• Molecular Weight: 5888.39 g/mol
• Exact Mass: 5882.38
• IUPAC Name: (2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile
• SMILES: [C-]#[N+]/C(C#N)=C1C(=C/c2ccc(-c3cc4c(s3)-c3sc5c6c(sc5c3C4(c3ccc(C)cc3)c3ccc(OCCCCCCCCCCCC)cc3)-c3sc(C)cc3C6(c3ccc(C)cc3)c3ccc(OCCCCCCCCCCCC)cc3)c3nsnc23)/C(=O)c2ccccc2/1.[C-]#[N+]/C(C#N)=C1C(=C/c2ccc(-c3cc4c(s3)-c3sc5c6c(sc5c3C4(c3ccc(CCCCCCCCCCCC)cc3)c3ccc(CCCCCCCCCCCC)cc3)-c3sc(C)cc3C6(c3ccc(CCCCCCCCCCCC)cc3)c3ccc(CCCCCCCCCCCC)cc3)c3nsnc23)/C(=O)c2ccccc2/1.[C-]#[N+]/C(C#N)=C1C(=C/c2ccc(-c3cc4sc5c(c4s3)C(c3cc(CCCCCC)cc(CCCCCC)c3)(c3cc(CCCCCC)cc(CCCCCC)c3)c3c-5sc4c5c(sc34)-c3sc(C)cc3C5(c3cc(CCCCCC)cc(CCCCCC)c3)c3cc(CCCCCC)cc(CCCCCC)c3)c3nsnc23)/C(=C)c2cc(F)c(F)cc2/1.[C-]#[N+]/C(C#N)=C1C(=C\c2ccc(C)c3nsnc23)\C(=O)c2cc(F)c(F)cc2\1.[C-]#[N+]/C(C#N)=C1C(=C\c2ccc(C)c3nsnc23)\C(=O)c2ccccc2\1.[C-]#[N+]/C(C#N)=C1C(=C\c2ccc(C)c3nsnc23)\C(=O)c2ccccc2\1
• InChI: InChI=1S/C111H128F2N4S6.C108H128N4OS5.C86H84N4O3S5.C20H8F2N4OS.2C20H10N4OS/c1-12-20-28-36-44-74-55-75(45-37-29-21-13-2)60-83(59-74)110(84-61-76(46-38-30-22-14-3)56-77(62-84)47-39-31-23-15-4)91-54-72(9)118-103(91)105-99(110)107-109(121-105)100-108(122-107)106-98(104-96(120-106)70-95(119-104)87-53-52-82(101-102(87)117-123-116-101)67-89-73(10)88-68-92(112)93(113)69-90(88)97(89)94(71-114)115-11)111(100,85-63-78(48-40-32-24-16-5)57-79(64-85)49-41-33-25-17-6)86-65-80(50-42-34-26-18-7)58-81(66-86)51-43-35-27-19-8;1-7-11-15-19-23-27-31-35-39-43-49-78-55-64-83(65-56-78)107(84-66-57-79(58-67-84)50-44-40-36-32-28-24-20-16-12-8-2)91-73-77(5)114-101(91)103-96(107)105-106(116-103)97-104(117-105)102-92(75-94(115-102)89-72-63-82(98-99(89)112-118-111-98)74-90-95(93(76-109)110-6)87-53-47-48-54-88(87)100(90)113)108(97,85-68-59-80(60-69-85)51-45-41-37-33-29-25-21-17-13-9-3)86-70-61-81(62-71-86)52-46-42-38-34-30-26-22-18-14-10-4;1-7-9-11-13-15-17-19-21-23-27-49-92-63-44-40-61(41-45-63)85(59-36-31-55(3)32-37-59)69-51-57(5)94-79(69)81-74(85)83-84(96-81)75-82(97-83)80-70(86(75,60-38-33-56(4)34-39-60)62-42-46-64(47-43-62)93-50-28-24-22-20-18-16-14-12-10-8-2)53-72(95-80)67-48-35-58(76-77(67)90-98-89-76)52-68-73(71(54-87)88-6)65-29-25-26-30-66(65)78(68)91;1-9-3-4-10(19-18(9)25-28-26-19)5-13-17(16(8-23)24-2)11-6-14(21)15(22)7-12(11)20(13)27;2*1-11-7-8-12(19-18(11)23-26-24-19)9-15-17(16(10-21)22-2)13-5-3-4-6-14(13)20(15)25/h52-70H,10,12-51H2,1-9H3;47-48,53-75H,7-46,49-52H2,1-5H3;25-26,29-48,51-53H,7-24,27-28,49-50H2,1-5H3;3-7H,1H3;2*3-9H,1H3/b89-67+,97-94-;90-74-,95-93+;68-52-,73-71+;13-5-,17-16-;2*15-9-,17-16-
• InChIKey: UVKQPQSCZZCCMW-UUPBQQCYSA-N
• XLogP: 108.63
• TPSA: 427.39 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 129
• Heavy Atoms: 419
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5888.39
LogP ≤ 5	108.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile?

The IUPAC name of (2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile (CID 161204569) is (2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile.

What is the SMILES notation for (2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile?

The canonical SMILES for (2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile is [C-]#[N+]/C(C#N)=C1C(=C/c2ccc(-c3cc4c(s3)-c3sc5c6c(sc5c3C4(c3ccc(C)cc3)c3ccc(OCCCCCCCCCCCC)cc3)-c3sc(C)cc3C6(c3ccc(C)cc3)c3ccc(OCCCCCCCCCCCC)cc3)c3nsnc23)/C(=O)c2ccccc2/1.[C-]#[N+]/C(C#N)=C1C(=C/c2ccc(-c3cc4c(s3)-c3sc5c6c(sc5c3C4(c3ccc(CCCCCCCCCCCC)cc3)c3ccc(CCCCCCCCCCCC)cc3)-c3sc(C)cc3C6(c3ccc(CCCCCCCCCCCC)cc3)c3ccc(CCCCCCCCCCCC)cc3)c3nsnc23)/C(=O)c2ccccc2/1.[C-]#[N+]/C(C#N)=C1C(=C/c2ccc(-c3cc4sc5c(c4s3)C(c3cc(CCCCCC)cc(CCCCCC)c3)(c3cc(CCCCCC)cc(CCCCCC)c3)c3c-5sc4c5c(sc34)-c3sc(C)cc3C5(c3cc(CCCCCC)cc(CCCCCC)c3)c3cc(CCCCCC)cc(CCCCCC)c3)c3nsnc23)/C(=C)c2cc(F)c(F)cc2/1.[C-]#[N+]/C(C#N)=C1C(=C\c2ccc(C)c3nsnc23)\C(=O)c2cc(F)c(F)cc2\1.[C-]#[N+]/C(C#N)=C1C(=C\c2ccc(C)c3nsnc23)\C(=O)c2ccccc2\1.[C-]#[N+]/C(C#N)=C1C(=C\c2ccc(C)c3nsnc23)\C(=O)c2ccccc2\1.

What is the InChIKey of (2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile?

The InChIKey is UVKQPQSCZZCCMW-UUPBQQCYSA-N. The full InChI is InChI=1S/C111H128F2N4S6.C108H128N4OS5.C86H84N4O3S5.C20H8F2N4OS.2C20H10N4OS/c1-12-20-28-36-44-74-55-75(45-37-29-21-13-2)60-83(59-74)110(84-61-76(46-38-30-22-14-3)56-77(62-84)47-39-31-23-15-4)91-54-72(9)118-103(91)105-99(110)107-109(121-105)100-108(122-107)106-98(104-96(120-106)70-95(119-104)87-53-52-82(101-102(87)117-123-116-101)67-89-73(10)88-68-92(112)93(113)69-90(88)97(89)94(71-114)115-11)111(100,85-63-78(48-40-32-24-16-5)57-79(64-85)49-41-33-25-17-6)86-65-80(50-42-34-26-18-7)58-81(66-86)51-43-35-27-19-8;1-7-11-15-19-23-27-31-35-39-43-49-78-55-64-83(65-56-78)107(84-66-57-79(58-67-84)50-44-40-36-32-28-24-20-16-12-8-2)91-73-77(5)114-101(91)103-96(107)105-106(116-103)97-104(117-105)102-92(75-94(115-102)89-72-63-82(98-99(89)112-118-111-98)74-90-95(93(76-109)110-6)87-53-47-48-54-88(87)100(90)113)108(97,85-68-59-80(60-69-85)51-45-41-37-33-29-25-21-17-13-9-3)86-70-61-81(62-71-86)52-46-42-38-34-30-26-22-18-14-10-4;1-7-9-11-13-15-17-19-21-23-27-49-92-63-44-40-61(41-45-63)85(59-36-31-55(3)32-37-59)69-51-57(5)94-79(69)81-74(85)83-84(96-81)75-82(97-83)80-70(86(75,60-38-33-56(4)34-39-60)62-42-46-64(47-43-62)93-50-28-24-22-20-18-16-14-12-10-8-2)53-72(95-80)67-48-35-58(76-77(67)90-98-89-76)52-68-73(71(54-87)88-6)65-29-25-26-30-66(65)78(68)91;1-9-3-4-10(19-18(9)25-28-26-19)5-13-17(16(8-23)24-2)11-6-14(21)15(22)7-12(11)20(13)27;2*1-11-7-8-12(19-18(11)23-26-24-19)9-15-17(16(10-21)22-2)13-5-3-4-6-14(13)20(15)25/h52-70H,10,12-51H2,1-9H3;47-48,53-75H,7-46,49-52H2,1-5H3;25-26,29-48,51-53H,7-24,27-28,49-50H2,1-5H3;3-7H,1H3;2*3-9H,1H3/b89-67+,97-94-;90-74-,95-93+;68-52-,73-71+;13-5-,17-16-;2*15-9-,17-16-.

What are the key properties of (2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile?

(2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile has a molecular weight of 5888.39 g/mol, XLogP of 108.63, 129 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[(2Z)-2-[[4-[3,13-bis(4-dodecoxyphenyl)-16-methyl-3,13-bis(4-methylphenyl)-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2Z)-5,6-difluoro-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;(2Z)-2-[(2E)-5,6-difluoro-3-methylidene-2-[[4-[10,10,23,23-tetrakis(3,5-dihexylphenyl)-7-methyl-3,6,13,16,20-pentathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaen-19-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]-2-isocyanoacetonitrile;bis((2Z)-2-isocyano-2-[(2Z)-2-[(7-methyl-2,1,3-benzothiadiazol-4-yl)methylidene]-3-oxoinden-1-ylidene]acetonitrile);(2E)-2-isocyano-2-[(2Z)-3-oxo-2-[[4-[3,3,13,13-tetrakis(4-dodecylphenyl)-16-methyl-7,10,17,20-tetrathiahexacyclo[9.9.0.02,9.04,8.012,19.014,18]icosa-1(11),2(9),4(8),5,12(19),14(18),15-heptaen-6-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]inden-1-ylidene]acetonitrile is sourced from PubChem (CID 161204569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).