2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione

C175H129GeN7O8S5 — CID 158990224

About 2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione

2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione (PubChem CID 158990224) has the molecular formula C175H129GeN7O8S5 and a molecular weight of 2690.94 g/mol. Its IUPAC name is 2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione.

Molecular Properties

• Compound Name: 2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione
• PubChem CID: 158990224
• Molecular Formula: C175H129GeN7O8S5
• Molecular Weight: 2690.94 g/mol
• Exact Mass: 2689.77
• IUPAC Name: 2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione
• SMILES: CC[Ge]1(CC)c2cc(-c3c(C)cc(C)cc3C)ccc2N(c2cccc3ccccc23)c2sc(C=C3C(=O)c4ccccc4C3=O)cc21.Cc1cc(C)c(N2c3ccccc3C3(c4ccccc4N(c4c(C)cc(C)cc4C)c4sc(C=C5C(=O)c6ccccc6C5=O)cc43)c3ccsc32)c(C)c1.Cc1cc(C)c(N2c3ccccc3C3(c4ccncc4-c4cnccc43)c3cc(C=C4C(=O)c5ccccc5C4=O)sc32)c(C)c1.O=C1C(=Cc2cc3c(s2)N(c2cccc4ccccc24)c2ccccc2C3(c2ccccc2)c2ccccc2)C(=O)c2ccccc21
• InChI: InChI=1S/C49H38N2O2S2.C43H37GeNO2S.C43H27NO2S.C40H27N3O2S/c1-27-21-29(3)43(30(4)22-27)50-41-17-11-9-15-37(41)49(39-19-20-54-47(39)50)38-16-10-12-18-42(38)51(44-31(5)23-28(2)24-32(44)6)48-40(49)26-33(55-48)25-36-45(52)34-13-7-8-14-35(34)46(36)53;1-6-44(7-2)36-23-30(40-27(4)21-26(3)22-28(40)5)19-20-39(36)45(38-18-12-14-29-13-8-9-15-32(29)38)43-37(44)25-31(48-43)24-35-41(46)33-16-10-11-17-34(33)42(35)47;45-40-33-21-9-10-22-34(33)41(46)35(40)26-31-27-37-42(47-31)44(38-25-13-15-28-14-7-8-20-32(28)38)39-24-12-11-23-36(39)43(37,29-16-3-1-4-17-29)30-18-5-2-6-19-30;1-22-16-23(2)36(24(3)17-22)43-35-11-7-6-10-33(35)40(31-12-14-41-20-29(31)30-21-42-15-13-32(30)40)34-19-25(46-39(34)43)18-28-37(44)26-8-4-5-9-27(26)38(28)45/h7-26H,1-6H3;8-25H,6-7H2,1-5H3;1-27H;4-21H,1-3H3
• InChIKey: JQBKGBGTHXZRBF-UHFFFAOYSA-N
• XLogP: 43.02
• TPSA: 178.54 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2690.94
LogP ≤ 5	43.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione?

The IUPAC name of 2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione (CID 158990224) is 2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione.

What is the SMILES notation for 2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione?

The canonical SMILES for 2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione is CC[Ge]1(CC)c2cc(-c3c(C)cc(C)cc3C)ccc2N(c2cccc3ccccc23)c2sc(C=C3C(=O)c4ccccc4C3=O)cc21.Cc1cc(C)c(N2c3ccccc3C3(c4ccccc4N(c4c(C)cc(C)cc4C)c4sc(C=C5C(=O)c6ccccc6C5=O)cc43)c3ccsc32)c(C)c1.Cc1cc(C)c(N2c3ccccc3C3(c4ccncc4-c4cnccc43)c3cc(C=C4C(=O)c5ccccc5C4=O)sc32)c(C)c1.O=C1C(=Cc2cc3c(s2)N(c2cccc4ccccc24)c2ccccc2C3(c2ccccc2)c2ccccc2)C(=O)c2ccccc21.

What is the InChIKey of 2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione?

The InChIKey is JQBKGBGTHXZRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N2O2S2.C43H37GeNO2S.C43H27NO2S.C40H27N3O2S/c1-27-21-29(3)43(30(4)22-27)50-41-17-11-9-15-37(41)49(39-19-20-54-47(39)50)38-16-10-12-18-42(38)51(44-31(5)23-28(2)24-32(44)6)48-40(49)26-33(55-48)25-36-45(52)34-13-7-8-14-35(34)46(36)53;1-6-44(7-2)36-23-30(40-27(4)21-26(3)22-28(40)5)19-20-39(36)45(38-18-12-14-29-13-8-9-15-32(29)38)43-37(44)25-31(48-43)24-35-41(46)33-16-10-11-17-34(33)42(35)47;45-40-33-21-9-10-22-34(33)41(46)35(40)26-31-27-37-42(47-31)44(38-25-13-15-28-14-7-8-20-32(28)38)39-24-12-11-23-36(39)43(37,29-16-3-1-4-17-29)30-18-5-2-6-19-30;1-22-16-23(2)36(24(3)17-22)43-35-11-7-6-10-33(35)40(31-12-14-41-20-29(31)30-21-42-15-13-32(30)40)34-19-25(46-39(34)43)18-28-37(44)26-8-4-5-9-27(26)38(28)45/h7-26H,1-6H3;8-25H,6-7H2,1-5H3;1-27H;4-21H,1-3H3.

What are the key properties of 2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione?

2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione has a molecular weight of 2690.94 g/mol, XLogP of 43.02, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[9,9'-bis(2,4,6-trimethylphenyl)-4,4'-spirobi[thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione;2-[[4,4-diethyl-9-naphthalen-1-yl-6-(2,4,6-trimethylphenyl)thieno[2,3-b][1,4]benzazagermin-2-yl]methylidene]indene-1,3-dione;2-[(9-naphthalen-1-yl-4,4-diphenylthieno[2,3-b]quinolin-2-yl)methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 158990224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).