(6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione

C₂₂₁H₁₅₁N₁₁O₁₂S₁₄ — CID 159842142

About (6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione

(6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione (PubChem CID 159842142) has the molecular formula C₂₂₁H₁₅₁N₁₁O₁₂S₁₄ and a molecular weight of 3601.64 g/mol. Its IUPAC name is (6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione.

Molecular Properties

• Compound Name: (6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione
• PubChem CID: 159842142
• Molecular Formula: C₂₂₁H₁₅₁N₁₁O₁₂S₁₄
• Molecular Weight: 3601.64 g/mol
• Exact Mass: 3597.76
• IUPAC Name: (6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2sc3cc(/C=C4/C(=O)c5cccnc5C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3cc(/C=C4/C(=O)c5cccnc5C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3cc(/C=C4/C(=O)c5ccncc5C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3cc(/C=C4/C(=O)c5ccsc5C4=O)sc3c21.Cc1cc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2c-3sc3cc(/C=C4/C(=O)c5ccncc5C4=O)sc23)cc(C)n1.Cc1sc(C)c2c1C(=O)C(=Cc1cc3sc4c(c3s1)C(C)(C)c1cc(N(c3ccccc3)c3ccccc3)ccc1-4)C2=O
• InChI: InChI=1S/C40H26N2O2S2.C37H27N3O2S2.C37H27NO2S3.2C36H24N2O2S2.C35H23NO2S3/c1-40(2)31-20-25(42(24-12-4-3-5-13-24)32-16-8-11-23-10-6-7-14-27(23)32)17-18-28(31)38-34(40)39-33(46-38)22-26(45-39)21-30-36(43)29-15-9-19-41-35(29)37(30)44;1-20-14-24(15-21(2)39-20)40(22-8-6-5-7-9-22)23-10-11-27-30(16-23)37(3,4)32-35(27)44-31-18-25(43-36(31)32)17-28-33(41)26-12-13-38-19-29(26)34(28)42;1-20-30-31(21(2)41-20)34(40)27(33(30)39)18-25-19-29-36(42-25)32-35(43-29)26-16-15-24(17-28(26)37(32,3)4)38(22-11-7-5-8-12-22)23-13-9-6-10-14-23;1-36(2)28-18-23(38(21-10-5-3-6-11-21)22-12-7-4-8-13-22)15-16-25(28)34-30(36)35-29(42-34)20-24(41-35)19-27-32(39)26-14-9-17-37-31(26)33(27)40;1-36(2)29-17-23(38(21-9-5-3-6-10-21)22-11-7-4-8-12-22)13-14-26(29)34-31(36)35-30(42-34)19-24(41-35)18-27-32(39)25-15-16-37-20-28(25)33(27)40;1-35(2)27-17-22(36(20-9-5-3-6-10-20)21-11-7-4-8-12-21)13-14-24(27)32-29(35)34-28(41-32)19-23(40-34)18-26-30(37)25-15-16-39-33(25)31(26)38/h3-22H,1-2H3;5-19H,1-4H3;5-19H,1-4H3;2*3-20H,1-2H3;3-19H,1-2H3/b30-21-;28-17-;;27-19-;27-18-;26-18-
• InChIKey: NOUVSCNFLNZLCO-IDMIDHQLSA-N
• XLogP: 60.69
• TPSA: 288.73 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 258
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3601.64
LogP ≤ 5	60.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione?

The IUPAC name of (6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione (CID 159842142) is (6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione.

What is the SMILES notation for (6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione?

The canonical SMILES for (6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione is CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2sc3cc(/C=C4/C(=O)c5cccnc5C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3cc(/C=C4/C(=O)c5cccnc5C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3cc(/C=C4/C(=O)c5ccncc5C4=O)sc3c21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc3cc(/C=C4/C(=O)c5ccsc5C4=O)sc3c21.Cc1cc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2c-3sc3cc(/C=C4/C(=O)c5ccncc5C4=O)sc23)cc(C)n1.Cc1sc(C)c2c1C(=O)C(=Cc1cc3sc4c(c3s1)C(C)(C)c1cc(N(c3ccccc3)c3ccccc3)ccc1-4)C2=O.

What is the InChIKey of (6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione?

The InChIKey is NOUVSCNFLNZLCO-IDMIDHQLSA-N. The full InChI is InChI=1S/C40H26N2O2S2.C37H27N3O2S2.C37H27NO2S3.2C36H24N2O2S2.C35H23NO2S3/c1-40(2)31-20-25(42(24-12-4-3-5-13-24)32-16-8-11-23-10-6-7-14-27(23)32)17-18-28(31)38-34(40)39-33(46-38)22-26(45-39)21-30-36(43)29-15-9-19-41-35(29)37(30)44;1-20-14-24(15-21(2)39-20)40(22-8-6-5-7-9-22)23-10-11-27-30(16-23)37(3,4)32-35(27)44-31-18-25(43-36(31)32)17-28-33(41)26-12-13-38-19-29(26)34(28)42;1-20-30-31(21(2)41-20)34(40)27(33(30)39)18-25-19-29-36(42-25)32-35(43-29)26-16-15-24(17-28(26)37(32,3)4)38(22-11-7-5-8-12-22)23-13-9-6-10-14-23;1-36(2)28-18-23(38(21-10-5-3-6-11-21)22-12-7-4-8-13-22)15-16-25(28)34-30(36)35-29(42-34)20-24(41-35)19-27-32(39)26-14-9-17-37-31(26)33(27)40;1-36(2)29-17-23(38(21-9-5-3-6-10-21)22-11-7-4-8-12-22)13-14-26(29)34-31(36)35-30(42-34)19-24(41-35)18-27-32(39)25-15-16-37-20-28(25)33(27)40;1-35(2)27-17-22(36(20-9-5-3-6-10-20)21-11-7-4-8-12-21)13-14-24(27)32-29(35)34-28(41-32)19-23(40-34)18-26-30(37)25-15-16-39-33(25)31(26)38/h3-22H,1-2H3;5-19H,1-4H3;5-19H,1-4H3;2*3-20H,1-2H3;3-19H,1-2H3/b30-21-;28-17-;;27-19-;27-18-;26-18-.

What are the key properties of (6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione?

(6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione has a molecular weight of 3601.64 g/mol, XLogP of 60.69, 24 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z)-6-[[8,8-dimethyl-5-(N-naphthalen-1-ylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(5Z)-5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[b]thiophene-4,6-dione;(6Z)-6-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;5-[[8,8-dimethyl-5-(N-phenylanilino)-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]-1,3-dimethylcyclopenta[c]thiophene-4,6-dione;(6Z)-6-[[5-(N-(2,6-dimethyl-4-pyridinyl)anilino)-8,8-dimethyl-11,15-dithiatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaen-12-yl]methylidene]cyclopenta[c]pyridine-5,7-dione is sourced from PubChem (CID 159842142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159842142 — identifiers, structure, computed properties (public domain)

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