2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione

C209H140N20O12S8 — CID 160773713

About 2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione

2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione (PubChem CID 160773713) has the molecular formula C209H140N20O12S8 and a molecular weight of 3380.08 g/mol. Its IUPAC name is 2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione.

Molecular Properties

• Compound Name: 2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione
• PubChem CID: 160773713
• Molecular Formula: C209H140N20O12S8
• Molecular Weight: 3380.08 g/mol
• Exact Mass: 3376.87
• IUPAC Name: 2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione
• SMILES: CC1(C)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2sc(C=C3C(=O)c4nccnc4C3=O)cc21.CC1(C)c2cc(C=C3C(=O)c4nccnc4C3=O)sc2-c2cnc(N(c3ccccc3)c3ccccc3)nc21.CC1(C)c2cc(C=C3C(=O)c4nccnc4C3=O)sc2-c2ncc(N(c3ccccc3)c3ccccc3)nc21.CC1(C)c2cc(N(c3ccccc3)c3cc4ccccc4s3)cnc2-c2sc(C=C3C(=O)c4ccccc4C3=O)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cnc2-c2sc(C=C3C(=O)c4ccccc4C3=O)cc21.Cc1ccc(N(c2cnc3c(c2)C(C)(C)c2cc(C=C4C(=O)c5ccccc5C4=O)sc2-3)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C40H26N2O2S2.C39H28N2O2S.C36H24N2O2S2.C32H20N4O2S.2C31H21N5O2S/c1-40(2)32-19-25(42(23-10-4-3-5-11-23)24-16-17-35-30(18-24)27-12-8-9-15-34(27)46-35)22-41-36(32)39-33(40)21-26(45-39)20-31-37(43)28-13-6-7-14-29(28)38(31)44;1-23-12-15-26(16-13-23)41(27-17-14-24-8-4-5-9-25(24)18-27)28-19-33-35(40-22-28)38-34(39(33,2)3)21-29(44-38)20-32-36(42)30-10-6-7-11-31(30)37(32)43;1-36(2)28-17-23(38(22-11-4-3-5-12-22)31-16-21-10-6-9-15-30(21)42-31)20-37-32(28)35-29(36)19-24(41-35)18-27-33(39)25-13-7-8-14-26(25)34(27)40;1-32(2)22-13-17(36-24-9-5-3-7-19(24)20-8-4-6-10-25(20)36)16-35-26(22)31-23(32)15-18(39-31)14-21-29(37)27-28(30(21)38)34-12-11-33-27;1-31(2)23-16-20(15-21-26(37)24-25(27(21)38)33-14-13-32-24)39-28(23)22-17-34-30(35-29(22)31)36(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-31(2)22-16-20(15-21-27(37)24-25(28(21)38)33-14-13-32-24)39-29(22)26-30(31)35-23(17-34-26)36(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-22H,1-2H3;4-22H,1-3H3;3-20H,1-2H3;3-16H,1-2H3;2*3-17H,1-2H3
• InChIKey: RZQVISVXJSFDBW-UHFFFAOYSA-N
• XLogP: 50.12
• TPSA: 406.43 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 249
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3380.08
LogP ≤ 5	50.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'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 2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione?

The IUPAC name of 2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione (CID 160773713) is 2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione.

What is the SMILES notation for 2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione?

The canonical SMILES for 2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2sc(C=C3C(=O)c4nccnc4C3=O)cc21.CC1(C)c2cc(C=C3C(=O)c4nccnc4C3=O)sc2-c2cnc(N(c3ccccc3)c3ccccc3)nc21.CC1(C)c2cc(C=C3C(=O)c4nccnc4C3=O)sc2-c2ncc(N(c3ccccc3)c3ccccc3)nc21.CC1(C)c2cc(N(c3ccccc3)c3cc4ccccc4s3)cnc2-c2sc(C=C3C(=O)c4ccccc4C3=O)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)cnc2-c2sc(C=C3C(=O)c4ccccc4C3=O)cc21.Cc1ccc(N(c2cnc3c(c2)C(C)(C)c2cc(C=C4C(=O)c5ccccc5C4=O)sc2-3)c2ccc3ccccc3c2)cc1.

What is the InChIKey of 2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione?

The InChIKey is RZQVISVXJSFDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O2S2.C39H28N2O2S.C36H24N2O2S2.C32H20N4O2S.2C31H21N5O2S/c1-40(2)32-19-25(42(23-10-4-3-5-11-23)24-16-17-35-30(18-24)27-12-8-9-15-34(27)46-35)22-41-36(32)39-33(40)21-26(45-39)20-31-37(43)28-13-6-7-14-29(28)38(31)44;1-23-12-15-26(16-13-23)41(27-17-14-24-8-4-5-9-25(24)18-27)28-19-33-35(40-22-28)38-34(39(33,2)3)21-29(44-38)20-32-36(42)30-10-6-7-11-31(30)37(32)43;1-36(2)28-17-23(38(22-11-4-3-5-12-22)31-16-21-10-6-9-15-30(21)42-31)20-37-32(28)35-29(36)19-24(41-35)18-27-33(39)25-13-7-8-14-26(25)34(27)40;1-32(2)22-13-17(36-24-9-5-3-7-19(24)20-8-4-6-10-25(20)36)16-35-26(22)31-23(32)15-18(39-31)14-21-29(37)27-28(30(21)38)34-12-11-33-27;1-31(2)23-16-20(15-21-26(37)24-25(27(21)38)33-14-13-32-24)39-28(23)22-17-34-30(35-29(22)31)36(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-31(2)22-16-20(15-21-27(37)24-25(28(21)38)33-14-13-32-24)39-29(22)26-30(31)35-23(17-34-26)36(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-22H,1-2H3;4-22H,1-3H3;3-20H,1-2H3;3-16H,1-2H3;2*3-17H,1-2H3.

What are the key properties of 2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione?

2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione has a molecular weight of 3380.08 g/mol, XLogP of 50.12, 22 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[10-[N-(1-benzothiophen-2-yl)anilino]-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[(10-carbazol-9-yl-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl)methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[10-(N-dibenzothiophen-2-ylanilino)-7,7-dimethyl-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;2-[[7,7-dimethyl-10-(4-methyl-N-naphthalen-2-ylanilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]indene-1,3-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;6-[[7,7-dimethyl-10-(N-phenylanilino)-3-thia-9,12-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-4-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione is sourced from PubChem (CID 160773713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).