2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione

C162H110N10O8S4 — CID 161014298

About 2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione

2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione (PubChem CID 161014298) has the molecular formula C162H110N10O8S4 and a molecular weight of 2452.99 g/mol. Its IUPAC name is 2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione.

Molecular Properties

• Compound Name: 2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione
• PubChem CID: 161014298
• Molecular Formula: C162H110N10O8S4
• Molecular Weight: 2452.99 g/mol
• Exact Mass: 2450.74
• IUPAC Name: 2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione
• SMILES: Cc1cc(C)c(N2c3ccncc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)c5ccccc5C4=O)sc32)c(C)c1.Cc1cc(C)c(N2c3ncccc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)c5ccccc5C4=O)sc32)c(C)c1.Cc1cc(C)c(N2c3nccnc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)c5ccccc5C4=O)sc32)c(C)c1.Cc1cc(C)c(N2c3ncncc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)c5ccccc5C4=O)sc32)c(C)c1
• InChI: InChI=1S/2C41H28N2O2S.2C40H27N3O2S/c1-23-19-24(2)36(25(3)20-23)43-39-34(17-10-18-42-39)41(32-15-8-6-11-27(32)28-12-7-9-16-33(28)41)35-22-26(46-40(35)43)21-31-37(44)29-13-4-5-14-30(29)38(31)45;1-23-18-24(2)37(25(3)19-23)43-36-16-17-42-22-35(36)41(32-14-8-6-10-27(32)28-11-7-9-15-33(28)41)34-21-26(46-40(34)43)20-31-38(44)29-12-4-5-13-30(29)39(31)45;1-22-16-23(2)35(24(3)17-22)43-38-34(20-41-21-42-38)40(31-14-8-6-10-26(31)27-11-7-9-15-32(27)40)33-19-25(46-39(33)43)18-30-36(44)28-12-4-5-13-29(28)37(30)45;1-22-18-23(2)34(24(3)19-22)43-38-37(41-16-17-42-38)40(31-14-8-6-10-26(31)27-11-7-9-15-32(27)40)33-21-25(46-39(33)43)20-30-35(44)28-12-4-5-13-29(28)36(30)45/h2*4-22H,1-3H3;2*4-21H,1-3H3
• InChIKey: TXNGHMNTFYNINB-UHFFFAOYSA-N
• XLogP: 37.50
• TPSA: 226.86 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2452.99
LogP ≤ 5	37.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

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'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione?

The IUPAC name of 2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione (CID 161014298) is 2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione.

What is the SMILES notation for 2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione?

The canonical SMILES for 2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione is Cc1cc(C)c(N2c3ccncc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)c5ccccc5C4=O)sc32)c(C)c1.Cc1cc(C)c(N2c3ncccc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)c5ccccc5C4=O)sc32)c(C)c1.Cc1cc(C)c(N2c3nccnc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)c5ccccc5C4=O)sc32)c(C)c1.Cc1cc(C)c(N2c3ncncc3C3(c4ccccc4-c4ccccc43)c3cc(C=C4C(=O)c5ccccc5C4=O)sc32)c(C)c1.

What is the InChIKey of 2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione?

The InChIKey is TXNGHMNTFYNINB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H28N2O2S.2C40H27N3O2S/c1-23-19-24(2)36(25(3)20-23)43-39-34(17-10-18-42-39)41(32-15-8-6-11-27(32)28-12-7-9-16-33(28)41)35-22-26(46-40(35)43)21-31-37(44)29-13-4-5-14-30(29)38(31)45;1-23-18-24(2)37(25(3)19-23)43-36-16-17-42-22-35(36)41(32-14-8-6-10-27(32)28-11-7-9-15-33(28)41)34-21-26(46-40(34)43)20-31-38(44)29-12-4-5-13-30(29)39(31)45;1-22-16-23(2)35(24(3)17-22)43-38-34(20-41-21-42-38)40(31-14-8-6-10-26(31)27-11-7-9-15-32(27)40)33-19-25(46-39(33)43)18-30-36(44)28-12-4-5-13-29(28)37(30)45;1-22-18-23(2)34(24(3)19-22)43-38-37(41-16-17-42-38)40(31-14-8-6-10-26(31)27-11-7-9-15-32(27)40)33-21-25(46-39(33)43)20-30-35(44)28-12-4-5-13-29(28)36(30)45/h2*4-22H,1-3H3;2*4-21H,1-3H3.

What are the key properties of 2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione?

2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione has a molecular weight of 2452.99 g/mol, XLogP of 37.50, 8 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,6]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[9'-(2,4,6-trimethylphenyl)spiro[fluorene-9,4'-thieno[2,3-b][1,8]naphthyridine]-2'-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,10,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione;2-[[2-(2,4,6-trimethylphenyl)spiro[4-thia-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(13),3(7),5,9,11-pentaene-8,9'-fluorene]-5-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 161014298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).