5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione

C66H52O20Si10 — CID 58695259

IUPAC5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione
SMILESC[Si]1(c2ccc3c(c2)C(=O)OC3=O)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](C)(c5ccc6c(c5)C(=O)OC6=O)O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O[Si](c6ccccc6)(O1)O[Si](c1ccccc1)(O5)O[Si](c1ccccc1)(O2)O4)O3
InChIInChI=1S/C66H52O20Si10/c1-87(57-43-45-59-61(47-57)65(69)71-63(59)67)73-89(49-27-11-3-12-28-49)77-93(53-35-19-7-20-36-53)81-91(51-31-15-5-16-32-51)75-88(2,58-44-46-60-62(48-58)66(70)72-64(60)68)76-92(52-33-17-6-18-34-52)83-95(85-93,55-39-23-9-24-40-55)79-90(74-87,50-29-13-4-14-30-50)80-96(84-92,56-41-25-10-26-42-56)86-94(78-89,82-91)54-37-21-8-22-38-54/h3-48H,1-2H3
InChIKeyXVLQGANUTTYZDY-UHFFFAOYSA-N
MW1445.98 g/mol
LogP3.64
Rot. Bonds10

About 5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione

5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione (PubChem CID 58695259) has the molecular formula C66H52O20Si10 and a molecular weight of 1445.98 g/mol. Its IUPAC name is 5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione
PubChem CID58695259
Molecular FormulaC66H52O20Si10
Molecular Weight1445.98 g/mol
Exact Mass1444.07
IUPAC Name5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione
SMILESC[Si]1(c2ccc3c(c2)C(=O)OC3=O)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](C)(c5ccc6c(c5)C(=O)OC6=O)O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O[Si](c6ccccc6)(O1)O[Si](c1ccccc1)(O5)O[Si](c1ccccc1)(O2)O4)O3
InChIInChI=1S/C66H52O20Si10/c1-87(57-43-45-59-61(47-57)65(69)71-63(59)67)73-89(49-27-11-3-12-28-49)77-93(53-35-19-7-20-36-53)81-91(51-31-15-5-16-32-51)75-88(2,58-44-46-60-62(48-58)66(70)72-64(60)68)76-92(52-33-17-6-18-34-52)83-95(85-93,55-39-23-9-24-40-55)79-90(74-87,50-29-13-4-14-30-50)80-96(84-92,56-41-25-10-26-42-56)86-94(78-89,82-91)54-37-21-8-22-38-54/h3-48H,1-2H3
InChIKeyXVLQGANUTTYZDY-UHFFFAOYSA-N
XLogP3.64
TPSA215.96 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001445.98
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione with MolForge

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Related Compounds

5-[[3,5,7,9,11,13,15-Heptakis[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl(dimethyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
CID 90689019
5-[[3,5,7,9,11,13,15-Heptakis[[dimethyl(1,1,2,2,3,3,4,4,5-nonafluorohexyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
CID 90994349
5-[[3,5,7,9,11,13,15-Heptakis[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
CID 91447363
Diethyl 10,10,25,25-tetramethyl-12,23-diphenyl-10,25-disilaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.024,32.026,31]dotriaconta-1(21),2(14),3(11),4,6,8,12,15,17,19,22,24(32),26,28,30-pentadecaene-13,22-dicarboxylate
CID 101955650
5-[[(1,3-Dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
CID 11811985
5-[(1,3-Dioxo-2-benzofuran-5-yl)-methyl-phenylsilyl]-2-benzofuran-1,3-dione
CID 12642120
5-[Tris(1,3-dioxo-2-benzofuran-5-yl)silyl]-2-benzofuran-1,3-dione
CID 15216346
5-[(1,3-Dioxo-2-benzofuran-5-yl)-diphenylsilyl]-2-benzofuran-1,3-dione
CID 20584035
4-[[[3-Carboxy-4-[2-carboxy-4-[[(3,4-dicarboxyphenyl)-dimethylsilyl]oxy-dimethylsilyl]benzoyl]oxycarbonylphenyl]-dimethylsilyl]oxy-dimethylsilyl]phthalic acid
CID 88449406
CID 88492803
CID 88492803
CID 88492806
CID 88492806
5-[[3,5,7,9,11,13,15-Heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-methoxy-methylsilyl]-2-benzofuran-1,3-dione
CID 90862684

Frequently Asked Questions

What is the IUPAC name of 5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione (CID 58695259) is 5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione is C[Si]1(c2ccc3c(c2)C(=O)OC3=O)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](C)(c5ccc6c(c5)C(=O)OC6=O)O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O[Si](c6ccccc6)(O1)O[Si](c1ccccc1)(O5)O[Si](c1ccccc1)(O2)O4)O3.
What is the InChIKey of 5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione?
The InChIKey is XVLQGANUTTYZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52O20Si10/c1-87(57-43-45-59-61(47-57)65(69)71-63(59)67)73-89(49-27-11-3-12-28-49)77-93(53-35-19-7-20-36-53)81-91(51-31-15-5-16-32-51)75-88(2,58-44-46-60-62(48-58)66(70)72-64(60)68)76-92(52-33-17-6-18-34-52)83-95(85-93,55-39-23-9-24-40-55)79-90(74-87,50-29-13-4-14-30-50)80-96(84-92,56-41-25-10-26-42-56)86-94(78-89,82-91)54-37-21-8-22-38-54/h3-48H,1-2H3.
What are the key properties of 5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione?
5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione has a molecular weight of 1445.98 g/mol, XLogP of 3.64, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[19-(1,3-dioxo-2-benzofuran-5-yl)-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 58695259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).