1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

C150H113N11O8S8 — CID 159443087

About 1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 159443087) has the molecular formula C150H113N11O8S8 and a molecular weight of 2454.16 g/mol. Its IUPAC name is 1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

• Compound Name: 1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
• PubChem CID: 159443087
• Molecular Formula: C150H113N11O8S8
• Molecular Weight: 2454.16 g/mol
• Exact Mass: 2451.65
• IUPAC Name: 1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
• SMILES: CCN1C(=O)/C(=C/c2cc3c(s2)N(c2c(C)cc(C)cc2C)c2ccccc2C32c3ccccc3-c3ccccc32)SC1=S.Cc1cc(C)c(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)N(C)C(=O)N(C)C4=O)sc32)c(C)c1.Cc1cc(C)c(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)N(C)C(=S)N(C)C4=O)sc32)c(C)c1.O=C1NC(=S)NC(=O)C1=Cc1cc2c(s1)N(c1ccccc1)c1ccccc1C21c2ccccc2-c2ccccc21
• InChI: InChI=1S/C39H31N3O3S.C39H31N3O2S2.C38H30N2OS3.C34H21N3O2S2/c2*1-22-18-23(2)34(24(3)19-22)42-33-17-11-10-16-31(33)39(29-14-8-6-12-26(29)27-13-7-9-15-30(27)39)32-21-25(46-37(32)42)20-28-35(43)40(4)38(45)41(5)36(28)44;1-5-39-35(41)33(44-37(39)42)21-25-20-31-36(43-25)40(34-23(3)18-22(2)19-24(34)4)32-17-11-10-16-30(32)38(31)28-14-8-6-12-26(28)27-13-7-9-15-29(27)38;38-30-24(31(39)36-33(40)35-30)18-21-19-28-32(41-21)37(20-10-2-1-3-11-20)29-17-9-8-16-27(29)34(28)25-14-6-4-12-22(25)23-13-5-7-15-26(23)34/h2*6-21H,1-5H3;6-21H,5H2,1-4H3;1-19H,(H2,35,36,38,39,40)/b;;33-21-
• InChIKey: LSKMWMHHCNSMDJ-FCHBLKDUSA-N
• XLogP: 33.52
• TPSA: 189.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2454.16
LogP ≤ 5	33.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?

The IUPAC name of 1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 159443087) is 1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.

What is the SMILES notation for 1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?

The canonical SMILES for 1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is CCN1C(=O)/C(=C/c2cc3c(s2)N(c2c(C)cc(C)cc2C)c2ccccc2C32c3ccccc3-c3ccccc32)SC1=S.Cc1cc(C)c(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)N(C)C(=O)N(C)C4=O)sc32)c(C)c1.Cc1cc(C)c(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)N(C)C(=S)N(C)C4=O)sc32)c(C)c1.O=C1NC(=S)NC(=O)C1=Cc1cc2c(s1)N(c1ccccc1)c1ccccc1C21c2ccccc2-c2ccccc21.

What is the InChIKey of 1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?

The InChIKey is LSKMWMHHCNSMDJ-FCHBLKDUSA-N. The full InChI is InChI=1S/C39H31N3O3S.C39H31N3O2S2.C38H30N2OS3.C34H21N3O2S2/c2*1-22-18-23(2)34(24(3)19-22)42-33-17-11-10-16-31(33)39(29-14-8-6-12-26(29)27-13-7-9-15-30(27)39)32-21-25(46-37(32)42)20-28-35(43)40(4)38(45)41(5)36(28)44;1-5-39-35(41)33(44-37(39)42)21-25-20-31-36(43-25)40(34-23(3)18-22(2)19-24(34)4)32-17-11-10-16-30(32)38(31)28-14-8-6-12-26(28)27-13-7-9-15-29(27)38;38-30-24(31(39)36-33(40)35-30)18-21-19-28-32(41-21)37(20-10-2-1-3-11-20)29-17-9-8-16-27(29)34(28)25-14-6-4-12-22(25)23-13-5-7-15-26(23)34/h2*6-21H,1-5H3;6-21H,5H2,1-4H3;1-19H,(H2,35,36,38,39,40)/b;;33-21-;.

What are the key properties of 1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?

1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 2454.16 g/mol, XLogP of 33.52, 9 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-diazinane-2,4,6-trione;(5Z)-3-ethyl-2-sulfanylidene-5-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl]methylidene]-1,3-thiazolidin-4-one;5-[(9'-phenylspiro[fluorene-9,4'-thieno[2,3-b]quinoline]-2'-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 159443087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).