[2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane

C168H166N16O24S4Si — CID 158688439

About [2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane

[2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane (PubChem CID 158688439) has the molecular formula C168H166N16O24S4Si and a molecular weight of 2949.62 g/mol. Its IUPAC name is [2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane.

Molecular Properties

• Compound Name: [2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane
• PubChem CID: 158688439
• Molecular Formula: C168H166N16O24S4Si
• Molecular Weight: 2949.62 g/mol
• Exact Mass: 2947.09
• IUPAC Name: [2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane
• SMILES: C.C.CC(C)(C)OC(=O)OC1=C(c2cnc3ccccc3n2)C(=O)c2ccccc21.CC(C)(C)OC(=O)Oc1c(-c2ccc3ccccc3n2)sc2ccccc12.CC(C)(C)OC(=O)Oc1c(-c2cnc3ccccc3n2)oc2ccccc12.CC(C)(C)OC(=O)Oc1c(-c2cnc3ccccc3n2)sc2ccccc12.CC(C)(C)OC(=O)Oc1cc(-n2nc3ccc(C(C)(C)C)cc3n2)c(C=O)cc1-n1nc2ccc(C(C)(C)C)cc2n1.CCC(C)C(=O)OCCc1ccc2c(OC(=O)OC(C)(C)C)c(-c3cnc4ccccc4n3)sc2c1.C[Si](C)(C)Oc1c(-c2ccc3ccccc3n2)sc2ccccc12
• InChI: InChI=1S/C32H36N6O4.C28H30N2O5S.C22H18N2O4.C22H19NO3S.C21H18N2O4.C21H18N2O3S.C20H19NOSSi.2CH4/c1-30(2,3)20-10-12-22-24(15-20)35-37(33-22)26-17-28(41-29(40)42-32(7,8)9)27(14-19(26)18-39)38-34-23-13-11-21(31(4,5)6)16-25(23)36-38;1-6-17(2)26(31)33-14-13-18-11-12-19-23(15-18)36-25(24(19)34-27(32)35-28(3,4)5)22-16-29-20-9-7-8-10-21(20)30-22;1-22(2,3)28-21(26)27-20-14-9-5-4-8-13(14)19(25)18(20)17-12-23-15-10-6-7-11-16(15)24-17;1-22(2,3)26-21(24)25-19-15-9-5-7-11-18(15)27-20(19)17-13-12-14-8-4-6-10-16(14)23-17;1-21(2,3)27-20(24)26-18-13-8-4-7-11-17(13)25-19(18)16-12-22-14-9-5-6-10-15(14)23-16;1-21(2,3)26-20(24)25-18-13-8-4-7-11-17(13)27-19(18)16-12-22-14-9-5-6-10-15(14)23-16;1-24(2,3)22-19-15-9-5-7-11-18(15)23-20(19)17-13-12-14-8-4-6-10-16(14)21-17;;/h10-18H,1-9H3;7-12,15-17H,6,13-14H2,1-5H3;4-12H,1-3H3;4-13H,1-3H3;2*4-12H,1-3H3;4-13H,1-3H3;2*1H4
• InChIKey: IGAQGTZFWGHFLD-UHFFFAOYSA-N
• XLogP: 43.69
• TPSA: 486.31 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 22
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2949.62
LogP ≤ 5	43.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane?

The IUPAC name of [2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane (CID 158688439) is [2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane.

What is the SMILES notation for [2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane?

The canonical SMILES for [2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane is C.C.CC(C)(C)OC(=O)OC1=C(c2cnc3ccccc3n2)C(=O)c2ccccc21.CC(C)(C)OC(=O)Oc1c(-c2ccc3ccccc3n2)sc2ccccc12.CC(C)(C)OC(=O)Oc1c(-c2cnc3ccccc3n2)oc2ccccc12.CC(C)(C)OC(=O)Oc1c(-c2cnc3ccccc3n2)sc2ccccc12.CC(C)(C)OC(=O)Oc1cc(-n2nc3ccc(C(C)(C)C)cc3n2)c(C=O)cc1-n1nc2ccc(C(C)(C)C)cc2n1.CCC(C)C(=O)OCCc1ccc2c(OC(=O)OC(C)(C)C)c(-c3cnc4ccccc4n3)sc2c1.C[Si](C)(C)Oc1c(-c2ccc3ccccc3n2)sc2ccccc12.

What is the InChIKey of [2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane?

The InChIKey is IGAQGTZFWGHFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O4.C28H30N2O5S.C22H18N2O4.C22H19NO3S.C21H18N2O4.C21H18N2O3S.C20H19NOSSi.2CH4/c1-30(2,3)20-10-12-22-24(15-20)35-37(33-22)26-17-28(41-29(40)42-32(7,8)9)27(14-19(26)18-39)38-34-23-13-11-21(31(4,5)6)16-25(23)36-38;1-6-17(2)26(31)33-14-13-18-11-12-19-23(15-18)36-25(24(19)34-27(32)35-28(3,4)5)22-16-29-20-9-7-8-10-21(20)30-22;1-22(2,3)28-21(26)27-20-14-9-5-4-8-13(14)19(25)18(20)17-12-23-15-10-6-7-11-16(15)24-17;1-22(2,3)26-21(24)25-19-15-9-5-7-11-18(15)27-20(19)17-13-12-14-8-4-6-10-16(14)23-17;1-21(2,3)27-20(24)26-18-13-8-4-7-11-17(13)25-19(18)16-12-22-14-9-5-6-10-15(14)23-16;1-21(2,3)26-20(24)25-18-13-8-4-7-11-17(13)27-19(18)16-12-22-14-9-5-6-10-15(14)23-16;1-24(2,3)22-19-15-9-5-7-11-18(15)23-20(19)17-13-12-14-8-4-6-10-16(14)21-17;;/h10-18H,1-9H3;7-12,15-17H,6,13-14H2,1-5H3;4-12H,1-3H3;4-13H,1-3H3;2*4-12H,1-3H3;4-13H,1-3H3;2*1H4.

What are the key properties of [2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane?

[2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane has a molecular weight of 2949.62 g/mol, XLogP of 43.69, 22 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for [2,5-bis(5-tert-butylbenzotriazol-2-yl)-4-formylphenyl] tert-butyl carbonate;tert-butyl (3-oxo-2-quinoxalin-2-ylinden-1-yl) carbonate;tert-butyl (2-quinolin-2-yl-1-benzothiophen-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzofuran-3-yl) carbonate;tert-butyl (2-quinoxalin-2-yl-1-benzothiophen-3-yl) carbonate;methane;2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-quinoxalin-2-yl-1-benzothiophen-6-yl]ethyl 2-methylbutanoate;trimethyl-[(2-quinolin-2-yl-1-benzothiophen-3-yl)oxy]silane is sourced from PubChem (CID 158688439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).