2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C211H125N15O8S7 — CID 157217648

About 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 157217648) has the molecular formula C211H125N15O8S7 and a molecular weight of 3222.89 g/mol. Its IUPAC name is 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 157217648
• Molecular Formula: C211H125N15O8S7
• Molecular Weight: 3222.89 g/mol
• Exact Mass: 3219.79
• IUPAC Name: 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: O=S1(=O)c2ccccc2-c2cc(-c3cc4ccc5c(ccc6ccoc65)c4o3)ccc21.c1ccc(-c2cc(-c3cccc(-c4cc5ccc6c(ccc7cc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)sc76)c5s4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc5ccc6c(ccc7ccoc76)c5o4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(ccc6ccsc65)c5sccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5ccc6c(ccc7ccsc76)c5s4)c3)n2)cc1.c1ccc2nc(-c3cc4ccc5c(ccc6ccoc65)c4o3)cnc2c1
• InChI: InChI=1S/C57H35N5S2.C36H22N2O2.2C35H21N3S2.C26H14O4S.C22H12N2O2/c1-5-15-36(16-6-1)48-35-49(59-54(58-48)37-17-7-2-8-18-37)40-23-13-24-41(31-40)50-33-43-27-29-47-46(52(43)63-50)30-28-44-34-51(64-53(44)47)42-25-14-26-45(32-42)57-61-55(38-19-9-3-10-20-38)60-56(62-57)39-21-11-4-12-22-39;1-3-7-23(8-4-1)24-11-13-26(14-12-24)32-22-31(25-9-5-2-6-10-25)37-36(38-32)33-21-28-16-18-29-30(35(28)40-33)17-15-27-19-20-39-34(27)29;1-3-8-23(9-4-1)33-36-34(24-10-5-2-6-11-24)38-35(37-33)27-13-7-12-25(20-27)30-21-26-15-17-28-29(32(26)40-30)16-14-22-18-19-39-31(22)28;1-3-7-24(8-4-1)33-36-34(25-9-5-2-6-10-25)38-35(37-33)26-13-11-22(12-14-26)29-21-30-27(32-28(29)18-20-40-32)16-15-23-17-19-39-31(23)30;27-31(28)23-4-2-1-3-18(23)21-13-16(7-10-24(21)31)22-14-17-6-9-19-20(26(17)30-22)8-5-15-11-12-29-25(15)19;1-2-4-18-17(3-1)23-12-19(24-18)20-11-14-6-8-15-16(22(14)26-20)7-5-13-9-10-25-21(13)15/h1-35H;1-22H;2*1-21H;1-14H;1-12H
• InChIKey: ASPKDBPBOJMHQP-UHFFFAOYSA-N
• XLogP: 58.37
• TPSA: 306.33 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3222.89
LogP ≤ 5	58.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 157217648) is 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is O=S1(=O)c2ccccc2-c2cc(-c3cc4ccc5c(ccc6ccoc65)c4o3)ccc21.c1ccc(-c2cc(-c3cccc(-c4cc5ccc6c(ccc7cc(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)sc76)c5s4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc5ccc6c(ccc7ccoc76)c5o4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(ccc6ccsc65)c5sccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5ccc6c(ccc7ccsc76)c5s4)c3)n2)cc1.c1ccc2nc(-c3cc4ccc5c(ccc6ccoc65)c4o3)cnc2c1.

What is the InChIKey of 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is ASPKDBPBOJMHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S2.C36H22N2O2.2C35H21N3S2.C26H14O4S.C22H12N2O2/c1-5-15-36(16-6-1)48-35-49(59-54(58-48)37-17-7-2-8-18-37)40-23-13-24-41(31-40)50-33-43-27-29-47-46(52(43)63-50)30-28-44-34-51(64-53(44)47)42-25-14-26-45(32-42)57-61-55(38-19-9-3-10-20-38)60-56(62-57)39-21-11-4-12-22-39;1-3-7-23(8-4-1)24-11-13-26(14-12-24)32-22-31(25-9-5-2-6-10-25)37-36(38-32)33-21-28-16-18-29-30(35(28)40-33)17-15-27-19-20-39-34(27)29;1-3-8-23(9-4-1)33-36-34(24-10-5-2-6-11-24)38-35(37-33)27-13-7-12-25(20-27)30-21-26-15-17-28-29(32(26)40-30)16-14-22-18-19-39-31(22)28;1-3-7-24(8-4-1)33-36-34(25-9-5-2-6-10-25)38-35(37-33)26-13-11-22(12-14-26)29-21-30-27(32-28(29)18-20-40-32)16-15-23-17-19-39-31(23)30;27-31(28)23-4-2-1-3-18(23)21-13-16(7-10-24(21)31)22-14-17-6-9-19-20(26(17)30-22)8-5-15-11-12-29-25(15)19;1-2-4-18-17(3-1)23-12-19(24-18)20-11-14-6-8-15-16(22(14)26-20)7-5-13-9-10-25-21(13)15/h1-35H;1-22H;2*1-21H;1-14H;1-12H.

What are the key properties of 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?

2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 3222.89 g/mol, XLogP of 58.37, 22 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)dibenzothiophene 5,5-dioxide;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-([1]benzofuro[7,6-g][1]benzofuran-2-yl)quinoxaline;2-[3-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-([1]benzothiolo[7,6-g][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 157217648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).