(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane)

C146H97F9N10O12S20 — CID 165086858

About (2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane)

(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane) (PubChem CID 165086858) has the molecular formula C146H97F9N10O12S20 and a molecular weight of 2995.76 g/mol. Its IUPAC name is (2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane).

Molecular Properties

• Compound Name: (2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane)
• PubChem CID: 165086858
• Molecular Formula: C146H97F9N10O12S20
• Molecular Weight: 2995.76 g/mol
• Exact Mass: 2992.16
• IUPAC Name: (2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane)
• SMILES: CC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CC1(C)C(/C=C2\C(=O)C(=O)c3ccccc32)=Cc2sc3c(sc4c5sc(/C=C6\C(=O)C(=O)c7ccccc76)cc5sc34)c21.CC1(C)C(C=C2C(=O)c3ccccc3C2=O)=Cc2sc3c(sc4c5sc(C=C6C(=O)c7ccccc7C6=O)cc5sc34)c21.CCN1C(=O)C(=Nc2cc3sc4c5sc6c(c5sc4c3s2)C(C)(C)C(/N=C2\SC(=S)N(CC)C2=O)=C6)SC1=S.[C-]#[N+]C(C#N)=C1C(=Nc2cc3sc4c5sc6c(c5sc4c3s2)C(C)(C)C(/N=C2\C(=O)c3ccccc3\C2=C(\C#N)[N+]#[C-])=C6)C(=O)c2ccccc21
• InChI: InChI=1S/C39H16N6O2S4.2C35H18O4S4.C25H18N4O2S8.3C2H3F3.3C2H6/c1-39(2)25(44-30-27(21(15-40)42-3)17-9-5-7-11-19(17)32(30)46)13-23-29(39)35-37(48-23)38-36(51-35)34-24(49-38)14-26(50-34)45-31-28(22(16-41)43-4)18-10-6-8-12-20(18)33(31)47;1-35(2)15(11-21-17-7-3-5-9-19(17)26(36)28(21)38)12-23-25(35)31-33(41-23)34-32(43-31)30-24(42-34)14-16(40-30)13-22-18-8-4-6-10-20(18)27(37)29(22)39;1-35(2)15(11-21-26(36)17-7-3-4-8-18(17)27(21)37)12-23-25(35)31-33(41-23)34-32(43-31)30-24(42-34)14-16(40-30)13-22-28(38)19-9-5-6-10-20(19)29(22)39;1-5-28-21(30)19(38-23(28)32)26-11-7-9-13(25(11,3)4)15-17(34-9)18-16(37-15)14-10(35-18)8-12(36-14)27-20-22(31)29(6-2)24(33)39-20;3*1-2(3,4)5;3*1-2/h5-14H,1-2H3;2*3-14H,1-2H3;7-8H,5-6H2,1-4H3;3*1H3;3*1-2H3/b27-21+,28-22?,44-30-,45-31?;21-11-,22-13-;;26-19-,27-20?
• InChIKey: WAVRAWNAFXKSIS-LBWOKGQVSA-N
• XLogP: 45.39
• TPSA: 317.06 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 10
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2995.76
LogP ≤ 5	45.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

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': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane)?

The IUPAC name of (2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane) (CID 165086858) is (2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane).

What is the SMILES notation for (2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane)?

The canonical SMILES for (2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane) is CC.CC.CC.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CC1(C)C(/C=C2\C(=O)C(=O)c3ccccc32)=Cc2sc3c(sc4c5sc(/C=C6\C(=O)C(=O)c7ccccc76)cc5sc34)c21.CC1(C)C(C=C2C(=O)c3ccccc3C2=O)=Cc2sc3c(sc4c5sc(C=C6C(=O)c7ccccc7C6=O)cc5sc34)c21.CCN1C(=O)C(=Nc2cc3sc4c5sc6c(c5sc4c3s2)C(C)(C)C(/N=C2\SC(=S)N(CC)C2=O)=C6)SC1=S.[C-]#[N+]C(C#N)=C1C(=Nc2cc3sc4c5sc6c(c5sc4c3s2)C(C)(C)C(/N=C2\C(=O)c3ccccc3\C2=C(\C#N)[N+]#[C-])=C6)C(=O)c2ccccc21.

What is the InChIKey of (2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane)?

The InChIKey is WAVRAWNAFXKSIS-LBWOKGQVSA-N. The full InChI is InChI=1S/C39H16N6O2S4.2C35H18O4S4.C25H18N4O2S8.3C2H3F3.3C2H6/c1-39(2)25(44-30-27(21(15-40)42-3)17-9-5-7-11-19(17)32(30)46)13-23-29(39)35-37(48-23)38-36(51-35)34-24(49-38)14-26(50-34)45-31-28(22(16-41)43-4)18-10-6-8-12-20(18)33(31)47;1-35(2)15(11-21-17-7-3-5-9-19(17)26(36)28(21)38)12-23-25(35)31-33(41-23)34-32(43-31)30-24(42-34)14-16(40-30)13-22-18-8-4-6-10-20(18)27(37)29(22)39;1-35(2)15(11-21-26(36)17-7-3-4-8-18(17)27(21)37)12-23-25(35)31-33(41-23)34-32(43-31)30-24(42-34)14-16(40-30)13-22-28(38)19-9-5-6-10-20(19)29(22)39;1-5-28-21(30)19(38-23(28)32)26-11-7-9-13(25(11,3)4)15-17(34-9)18-16(37-15)14-10(35-18)8-12(36-14)27-20-22(31)29(6-2)24(33)39-20;3*1-2(3,4)5;3*1-2/h5-14H,1-2H3;2*3-14H,1-2H3;7-8H,5-6H2,1-4H3;3*1H3;3*1-2H3/b27-21+,28-22?,44-30-,45-31?;21-11-,22-13-;;26-19-,27-20?;;;;;;.

What are the key properties of (2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane)?

(2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane) has a molecular weight of 2995.76 g/mol, XLogP of 45.39, 10 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[2-[[6-[[1-[cyano(isocyano)methylidene]-3-oxoinden-2-ylidene]amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-3-oxoinden-1-ylidene]-2-isocyanoacetonitrile;2-[[6-[(1,3-dioxoinden-2-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,3-dione;(3Z)-3-[[6-[(Z)-(2,3-dioxoinden-1-ylidene)methyl]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]methylidene]indene-1,2-dione;ethane;3-ethyl-5-[[6-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)amino]-13,13-dimethyl-3,7,10,17-tetrathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-14-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;tris(1,1,1-trifluoroethane) is sourced from PubChem (CID 165086858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).