N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione

C169H87F4N27O18S12 — CID 165007373

About N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione

N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione (PubChem CID 165007373) has the molecular formula C169H87F4N27O18S12 and a molecular weight of 3244.52 g/mol. Its IUPAC name is N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione.

Molecular Properties

• Compound Name: N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione
• PubChem CID: 165007373
• Molecular Formula: C169H87F4N27O18S12
• Molecular Weight: 3244.52 g/mol
• Exact Mass: 3241.33
• IUPAC Name: N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione
• SMILES: Cn1nc2c(n1)c1nc(C=C3C(=O)c4ccccc4C3=O)sc1c1sc(C=C3C(=O)c4ccccc4C3=O)nc21.Cn1nc2c(n1)c1nc(N=C3C(=O)C4CCCCC4C3=O)sc1c1sc(N=C3C(=O)C4CCCCC4C3=O)nc21.Cn1nc2c3cc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)sc3c3sc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)cc3c2n1.Cn1nc2c3cc(C=C4C(=O)c5cc6cc7ccccc7cc6cc5C4=O)sc3c3sc(C=C4C(=O)c5cc6cc7ccccc7cc6cc5C4=O)cc3c2n1.[C-]#[N+]C(C#N)=Nc1cc(OC)c(-c2cc3c4nn(C)nc4c4cc(-c5sc(N=C(C#N)[N+]#[C-])cc5OC)sc4c3s2)s1
• InChI: InChI=1S/C47H23N3O4S2.C39H15F4N3O4S2.C29H13N5O4S2.C27H13N9O2S4.C27H23N7O4S2/c1-50-48-40-36-18-30(20-38-42(51)32-14-26-10-22-6-2-3-7-23(22)11-27(26)15-33(32)43(38)52)55-46(36)47-37(41(40)49-50)19-31(56-47)21-39-44(53)34-16-28-12-24-8-4-5-9-25(24)13-29(28)17-35(34)45(39)54;1-46-44-32-24-10-18(12-26-34(47)20-2-14-6-28(40)29(41)7-15(14)3-21(20)35(26)48)51-38(24)39-25(33(32)45-46)11-19(52-39)13-27-36(49)22-4-16-8-30(42)31(43)9-17(16)5-23(22)37(27)50;1-34-32-20-21(33-34)23-29(40-19(31-23)11-17-26(37)14-8-4-5-9-15(14)27(17)38)28-22(20)30-18(39-28)10-16-24(35)12-6-2-3-7-13(12)25(16)36;1-30-18(10-28)32-20-8-14(37-4)26(41-20)16-6-12-22-23(35-36(3)34-22)13-7-17(40-25(13)24(12)39-16)27-15(38-5)9-21(42-27)33-19(11-29)31-2;1-34-32-14-15(33-34)17-25(40-27(29-17)31-19-22(37)12-8-4-5-9-13(12)23(19)38)24-16(14)28-26(39-24)30-18-20(35)10-6-2-3-7-11(10)21(18)36/h2-21H,1H3;2-13H,1H3;2-11H,1H3;6-9H,3-5H3;10-13H,2-9H2,1H3
• InChIKey: CVKMKRHYOHBWHH-UHFFFAOYSA-N
• XLogP: 37.30
• TPSA: 602.43 Ų
• H-Bond Acceptors: 55
• Rotatable Bonds: 14
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3244.52
LogP ≤ 5	37.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione?

The IUPAC name of N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione (CID 165007373) is N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione.

What is the SMILES notation for N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione?

The canonical SMILES for N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione is Cn1nc2c(n1)c1nc(C=C3C(=O)c4ccccc4C3=O)sc1c1sc(C=C3C(=O)c4ccccc4C3=O)nc21.Cn1nc2c(n1)c1nc(N=C3C(=O)C4CCCCC4C3=O)sc1c1sc(N=C3C(=O)C4CCCCC4C3=O)nc21.Cn1nc2c3cc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)sc3c3sc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)cc3c2n1.Cn1nc2c3cc(C=C4C(=O)c5cc6cc7ccccc7cc6cc5C4=O)sc3c3sc(C=C4C(=O)c5cc6cc7ccccc7cc6cc5C4=O)cc3c2n1.[C-]#[N+]C(C#N)=Nc1cc(OC)c(-c2cc3c4nn(C)nc4c4cc(-c5sc(N=C(C#N)[N+]#[C-])cc5OC)sc4c3s2)s1.

What is the InChIKey of N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione?

The InChIKey is CVKMKRHYOHBWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H23N3O4S2.C39H15F4N3O4S2.C29H13N5O4S2.C27H13N9O2S4.C27H23N7O4S2/c1-50-48-40-36-18-30(20-38-42(51)32-14-26-10-22-6-2-3-7-23(22)11-27(26)15-33(32)43(38)52)55-46(36)47-37(41(40)49-50)19-31(56-47)21-39-44(53)34-16-28-12-24-8-4-5-9-25(24)13-29(28)17-35(34)45(39)54;1-46-44-32-24-10-18(12-26-34(47)20-2-14-6-28(40)29(41)7-15(14)3-21(20)35(26)48)51-38(24)39-25(33(32)45-46)11-19(52-39)13-27-36(49)22-4-16-8-30(42)31(43)9-17(16)5-23(22)37(27)50;1-34-32-20-21(33-34)23-29(40-19(31-23)11-17-26(37)14-8-4-5-9-15(14)27(17)38)28-22(20)30-18(39-28)10-16-24(35)12-6-2-3-7-13(12)25(16)36;1-30-18(10-28)32-20-8-14(37-4)26(41-20)16-6-12-22-23(35-36(3)34-22)13-7-17(40-25(13)24(12)39-16)27-15(38-5)9-21(42-27)33-19(11-29)31-2;1-34-32-14-15(33-34)17-25(40-27(29-17)31-19-22(37)12-8-4-5-9-13(12)23(19)38)24-16(14)28-26(39-24)30-18-20(35)10-6-2-3-7-11(10)21(18)36/h2-21H,1H3;2-13H,1H3;2-11H,1H3;6-9H,3-5H3;10-13H,2-9H2,1H3.

What are the key properties of N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione?

N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione has a molecular weight of 3244.52 g/mol, XLogP of 37.30, 14 rotatable bonds, 0 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[14-[5-[[cyano(isocyano)methylidene]amino]-3-methoxythiophen-2-yl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]-4-methoxythiophen-2-yl]-1-isocyanomethanimidoyl cyanide;2-[[14-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[14-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[14-[(1,3-dioxocyclopenta[b]anthracen-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]cyclopenta[b]anthracene-1,3-dione;2-[[14-[(1,3-dioxoinden-2-ylidene)methyl]-4-methyl-10,13-dithia-3,4,5,8,15-pentazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 165007373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).