2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione

C188H100F4N12O16S8 — CID 165004126

About 2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione

2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione (PubChem CID 165004126) has the molecular formula C188H100F4N12O16S8 and a molecular weight of 3115.46 g/mol. Its IUPAC name is 2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione.

Molecular Properties

• Compound Name: 2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione
• PubChem CID: 165004126
• Molecular Formula: C188H100F4N12O16S8
• Molecular Weight: 3115.46 g/mol
• Exact Mass: 3112.51
• IUPAC Name: 2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione
• SMILES: Cn1c2c(c3sc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)cc31)=CC1C=c3c(c4sc(C=C5C(=O)c6cc7cc(F)c(F)cc7cc6C5=O)cc4n3C)=CC1C=2.Cn1c2c(c3sc(C=C4C(=O)c5cc6cc7ccccc7cc6cc5C4=O)cc31)=CC1C=c3c(c4sc(C=C5C(=O)c6cc7cc8ccccc8cc7cc6C5=O)cc4n3C)=CC1C=2.Cn1c2c(c3sc(C=C4C(=O)c5ccccc5C4=O)cc31)=CC1C=c3c(c4sc(C=C5C(=O)c6ccccc6C5=O)cc4n3C)=CC1C=2.[C-]#[N+]c1cc2c(cc1C#N)C(=O)/C(=C/c1cc3c(s1)c1c(n3C)=CC3C=c4c(n(C)c5cc(C=C6C(=O)c7cc(C#N)c(C#N)cc7C6=O)sc45)=CC3C=1)C2=O
• InChI: InChI=1S/C56H32N2O4S2.C48H24F4N2O4S2.C44H20N6O4S2.C40H24N2O4S2/c1-57-47-21-35-20-44-48(58(2)50-26-38(64-56(44)50)24-46-53(61)41-17-33-13-29-9-5-6-10-30(29)14-34(33)18-42(41)54(46)62)22-36(35)19-43(47)55-49(57)25-37(63-55)23-45-51(59)39-15-31-11-27-7-3-4-8-28(27)12-32(31)16-40(39)52(45)60;1-53-39-13-23-8-32-40(54(2)42-18-26(60-48(32)42)16-34-45(57)29-5-21-11-37(51)38(52)12-22(21)6-30(29)46(34)58)14-24(23)7-31(39)47-41(53)17-25(59-47)15-33-43(55)27-3-19-9-35(49)36(50)10-20(19)4-28(27)44(33)56;1-48-34-15-29-28(8-23(34)18-47)41(53)33(42(29)54)12-25-14-38-44(56-25)31-5-20-9-35-30(4-19(20)10-36(31)50(38)3)43-37(49(35)2)13-24(55-43)11-32-39(51)26-6-21(16-45)22(17-46)7-27(26)40(32)52;1-41-31-13-19-12-28-32(42(2)34-18-22(48-40(28)34)16-30-37(45)25-9-5-6-10-26(25)38(30)46)14-20(19)11-27(31)39-33(41)17-21(47-39)15-29-35(43)23-7-3-4-8-24(23)36(29)44/h3-26,35-36H,1-2H3;3-18,23-24H,1-2H3;4-15,19-20H,2-3H3;3-20H,1-2H3/b;;33-12-
• InChIKey: IRYPHCYYBIQIRZ-MNJFUFPQSA-N
• XLogP: 26.84
• TPSA: 388.29 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 8
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3115.46
LogP ≤ 5	26.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione?

The IUPAC name of 2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione (CID 165004126) is 2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione.

What is the SMILES notation for 2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione?

The canonical SMILES for 2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione is Cn1c2c(c3sc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)cc31)=CC1C=c3c(c4sc(C=C5C(=O)c6cc7cc(F)c(F)cc7cc6C5=O)cc4n3C)=CC1C=2.Cn1c2c(c3sc(C=C4C(=O)c5cc6cc7ccccc7cc6cc5C4=O)cc31)=CC1C=c3c(c4sc(C=C5C(=O)c6cc7cc8ccccc8cc7cc6C5=O)cc4n3C)=CC1C=2.Cn1c2c(c3sc(C=C4C(=O)c5ccccc5C4=O)cc31)=CC1C=c3c(c4sc(C=C5C(=O)c6ccccc6C5=O)cc4n3C)=CC1C=2.[C-]#[N+]c1cc2c(cc1C#N)C(=O)/C(=C/c1cc3c(s1)c1c(n3C)=CC3C=c4c(n(C)c5cc(C=C6C(=O)c7cc(C#N)c(C#N)cc7C6=O)sc45)=CC3C=1)C2=O.

What is the InChIKey of 2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione?

The InChIKey is IRYPHCYYBIQIRZ-MNJFUFPQSA-N. The full InChI is InChI=1S/C56H32N2O4S2.C48H24F4N2O4S2.C44H20N6O4S2.C40H24N2O4S2/c1-57-47-21-35-20-44-48(58(2)50-26-38(64-56(44)50)24-46-53(61)41-17-33-13-29-9-5-6-10-30(29)14-34(33)18-42(41)54(46)62)22-36(35)19-43(47)55-49(57)25-37(63-55)23-45-51(59)39-15-31-11-27-7-3-4-8-28(27)12-32(31)16-40(39)52(45)60;1-53-39-13-23-8-32-40(54(2)42-18-26(60-48(32)42)16-34-45(57)29-5-21-11-37(51)38(52)12-22(21)6-30(29)46(34)58)14-24(23)7-31(39)47-41(53)17-25(59-47)15-33-43(55)27-3-19-9-35(49)36(50)10-20(19)4-28(27)44(33)56;1-48-34-15-29-28(8-23(34)18-47)41(53)33(42(29)54)12-25-14-38-44(56-25)31-5-20-9-35-30(4-19(20)10-36(31)50(38)3)43-37(49(35)2)13-24(55-43)11-32-39(51)26-6-21(16-45)22(17-46)7-27(26)40(32)52;1-41-31-13-19-12-28-32(42(2)34-18-22(48-40(28)34)16-30-37(45)25-9-5-6-10-26(25)38(30)46)14-20(19)11-27(31)39-33(41)17-21(47-39)15-29-35(43)23-7-3-4-8-24(23)36(29)44/h3-26,35-36H,1-2H3;3-18,23-24H,1-2H3;4-15,19-20H,2-3H3;3-20H,1-2H3/b;;33-12-;.

What are the key properties of 2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione?

2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione has a molecular weight of 3115.46 g/mol, XLogP of 26.84, 8 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[17-[(Z)-(5-cyano-6-isocyano-1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-1,3-dioxoindene-5,6-dicarbonitrile;2-[[17-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[17-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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]cyclopenta[b]anthracene-1,3-dione;2-[[17-[(1,3-dioxoinden-2-ylidene)methyl]-9,20-dimethyl-5,16-dithia-9,20-diazahexacyclo[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-1,3-dione is sourced from PubChem (CID 165004126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).