2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)

C160H88F10N14O18S16 — CID 164956767

About 2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)

2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane) (PubChem CID 164956767) has the molecular formula C160H88F10N14O18S16 and a molecular weight of 3197.60 g/mol. Its IUPAC name is 2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane).

Molecular Properties

• Compound Name: 2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)
• PubChem CID: 164956767
• Molecular Formula: C160H88F10N14O18S16
• Molecular Weight: 3197.60 g/mol
• Exact Mass: 3194.18
• IUPAC Name: 2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)
• SMILES: CC.CC.CC(F)(F)F.CC(F)(F)F.CC1(C)Oc2c(sc3nc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)sc23)-c2sc3nc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)sc3c21.CC1(C)Oc2c(sc3nc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc23)-c2sc3nc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc3c21.CC1(C)Oc2c(sc3nc(C=C4C(=O)c5ccccc5C4=O)sc23)-c2sc3c(c21)SC(C=C1C(=O)c2ccccc2C1=O)N3.CC1(C)Oc2c(sc3nc(N=C4C(=O)c5ccccc5C4=C(C#N)C#N)sc23)-c2sc3c(c21)SC(N=C1C(=O)c2ccccc2C1=C(C#N)C#N)N3
• InChI: InChI=1S/C41H16F4N2O5S4.C41H20N2O5S4.C37H16N8O3S4.C33H18N2O5S4.2C2H3F3.2C2H6/c1-41(2)29-35(55-39-36(29)53-27(46-39)11-21-30(48)17-3-13-7-23(42)24(43)8-14(13)4-18(17)31(21)49)37-34(52-41)38-40(56-37)47-28(54-38)12-22-32(50)19-5-15-9-25(44)26(45)10-16(15)6-20(19)33(22)51;1-41(2)29-35(51-39-36(29)49-27(42-39)15-25-30(44)21-11-17-7-3-4-8-18(17)12-22(21)31(25)45)37-34(48-41)38-40(52-37)43-28(50-38)16-26-32(46)23-13-19-9-5-6-10-20(19)14-24(23)33(26)47;1-37(2)23-29(49-33-30(23)51-35(44-33)42-24-21(15(11-38)12-39)17-7-3-5-9-19(17)26(24)46)31-28(48-37)32-34(50-31)45-36(52-32)43-25-22(16(13-40)14-41)18-8-4-6-10-20(18)27(25)47;1-33(2)21-27(43-31-28(21)41-19(34-31)11-17-22(36)13-7-3-4-8-14(13)23(17)37)29-26(40-33)30-32(44-29)35-20(42-30)12-18-24(38)15-9-5-6-10-16(15)25(18)39;2*1-2(3,4)5;2*1-2/h3-12H,1-2H3;3-16H,1-2H3;3-10,35,44H,1-2H3;3-12,19,34H,1-2H3;2*1H3;2*1-2H3
• InChIKey: BGWXYPHWNRYGOT-UHFFFAOYSA-N
• XLogP: 43.30
• TPSA: 497.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 48
• Rotatable Bonds: 8
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3197.60
LogP ≤ 5	43.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	48

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': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)?

The IUPAC name of 2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane) (CID 164956767) is 2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane).

What is the SMILES notation for 2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)?

The canonical SMILES for 2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane) is CC.CC.CC(F)(F)F.CC(F)(F)F.CC1(C)Oc2c(sc3nc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)sc23)-c2sc3nc(C=C4C(=O)c5cc6cc(F)c(F)cc6cc5C4=O)sc3c21.CC1(C)Oc2c(sc3nc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc23)-c2sc3nc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc3c21.CC1(C)Oc2c(sc3nc(C=C4C(=O)c5ccccc5C4=O)sc23)-c2sc3c(c21)SC(C=C1C(=O)c2ccccc2C1=O)N3.CC1(C)Oc2c(sc3nc(N=C4C(=O)c5ccccc5C4=C(C#N)C#N)sc23)-c2sc3c(c21)SC(N=C1C(=O)c2ccccc2C1=C(C#N)C#N)N3.

What is the InChIKey of 2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)?

The InChIKey is BGWXYPHWNRYGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H16F4N2O5S4.C41H20N2O5S4.C37H16N8O3S4.C33H18N2O5S4.2C2H3F3.2C2H6/c1-41(2)29-35(55-39-36(29)53-27(46-39)11-21-30(48)17-3-13-7-23(42)24(43)8-14(13)4-18(17)31(21)49)37-34(52-41)38-40(56-37)47-28(54-38)12-22-32(50)19-5-15-9-25(44)26(45)10-16(15)6-20(19)33(22)51;1-41(2)29-35(51-39-36(29)49-27(42-39)15-25-30(44)21-11-17-7-3-4-8-18(17)12-22(21)31(25)45)37-34(48-41)38-40(52-37)43-28(50-38)16-26-32(46)23-13-19-9-5-6-10-20(19)14-24(23)33(26)47;1-37(2)23-29(49-33-30(23)51-35(44-33)42-24-21(15(11-38)12-39)17-7-3-5-9-19(17)26(24)46)31-28(48-37)32-34(50-31)45-36(52-32)43-25-22(16(13-40)14-41)18-8-4-6-10-20(18)27(25)47;1-33(2)21-27(43-31-28(21)41-19(34-31)11-17-22(36)13-7-3-4-8-14(13)23(17)37)29-26(40-33)30-32(44-29)35-20(42-30)12-18-24(38)15-9-5-6-10-16(15)25(18)39;2*1-2(3,4)5;2*1-2/h3-12H,1-2H3;3-16H,1-2H3;3-10,35,44H,1-2H3;3-12,19,34H,1-2H3;2*1H3;2*1-2H3.

What are the key properties of 2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane)?

2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane) has a molecular weight of 3197.60 g/mol, XLogP of 43.30, 8 rotatable bonds, 2 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[6-[[1-(dicyanomethylidene)-3-oxoinden-2-ylidene]amino]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]imino]-3-oxoinden-1-ylidene]propanedinitrile;2-[[6-[(6,7-difluoro-1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]-6,7-difluorocyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxocyclopenta[b]naphthalen-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-15-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-11,11-dimethyl-10-oxa-3,7,14,18-tetrathia-5,16-diazapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17)-pentaen-15-yl]methylidene]indene-1,3-dione;ethane;bis(1,1,1-trifluoroethane) is sourced from PubChem (CID 164956767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).