2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine

C212H128N16OS7 — CID 157189714

IUPAC2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc7oc8ccccc8c67)c5)c4)c3)cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6sc7ccccc7c56)c4)c3)cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc5sc6ccccc6c45)c3)cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)c2)cc1.c1ccc(-c2cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C62H38N4OS.C56H34N4S2.C50H30N4S2.C44H26N4S2/c1-4-17-39(18-5-1)48-36-49(38-50(37-48)58-56-52-30-11-13-32-54(52)68-62(56)66-60(64-58)41-21-8-3-9-22-41)46-27-15-25-44(34-46)42-23-14-24-43(33-42)45-26-16-28-47(35-45)57-55-51-29-10-12-31-53(51)67-61(55)65-59(63-57)40-19-6-2-7-20-40;1-4-16-35(17-5-1)42-32-43(34-44(33-42)52-50-46-27-11-13-29-48(46)62-56(50)60-54(58-52)37-20-8-3-9-21-37)40-24-14-22-38(30-40)39-23-15-25-41(31-39)51-49-45-26-10-12-28-47(45)61-55(49)59-53(57-51)36-18-6-2-7-19-36;1-4-15-31(16-5-1)36-28-37(30-38(29-36)46-44-40-24-11-13-26-42(40)56-50(44)54-48(52-46)33-19-8-3-9-20-33)34-21-14-22-35(27-34)45-43-39-23-10-12-25-41(39)55-49(43)53-47(51-45)32-17-6-2-7-18-32;1-4-14-27(15-5-1)30-24-31(39-37-33-20-10-12-22-35(33)49-43(37)47-41(45-39)28-16-6-2-7-17-28)26-32(25-30)40-38-34-21-11-13-23-36(34)50-44(38)48-42(46-40)29-18-8-3-9-19-29/h1-38H;1-34H;1-30H;1-26H
InChIKeyAPOCCXFQSAVIAB-UHFFFAOYSA-N
MW3139.94 g/mol
LogP58.88
Rot. Bonds26

About 2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine

2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 157189714) has the molecular formula C212H128N16OS7 and a molecular weight of 3139.94 g/mol. Its IUPAC name is 2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
PubChem CID157189714
Molecular FormulaC212H128N16OS7
Molecular Weight3139.94 g/mol
Exact Mass3136.85
IUPAC Name2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc7oc8ccccc8c67)c5)c4)c3)cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6sc7ccccc7c56)c4)c3)cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc5sc6ccccc6c45)c3)cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)c2)cc1.c1ccc(-c2cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C62H38N4OS.C56H34N4S2.C50H30N4S2.C44H26N4S2/c1-4-17-39(18-5-1)48-36-49(38-50(37-48)58-56-52-30-11-13-32-54(52)68-62(56)66-60(64-58)41-21-8-3-9-22-41)46-27-15-25-44(34-46)42-23-14-24-43(33-42)45-26-16-28-47(35-45)57-55-51-29-10-12-31-53(51)67-61(55)65-59(63-57)40-19-6-2-7-20-40;1-4-16-35(17-5-1)42-32-43(34-44(33-42)52-50-46-27-11-13-29-48(46)62-56(50)60-54(58-52)37-20-8-3-9-21-37)40-24-14-22-38(30-40)39-23-15-25-41(31-39)51-49-45-26-10-12-28-47(45)61-55(49)59-53(57-51)36-18-6-2-7-19-36;1-4-15-31(16-5-1)36-28-37(30-38(29-36)46-44-40-24-11-13-26-42(40)56-50(44)54-48(52-46)33-19-8-3-9-20-33)34-21-14-22-35(27-34)45-43-39-23-10-12-25-41(39)55-49(43)53-47(51-45)32-17-6-2-7-18-32;1-4-14-27(15-5-1)30-24-31(39-37-33-20-10-12-22-35(33)49-43(37)47-41(45-39)28-16-6-2-7-17-28)26-32(25-30)40-38-34-21-11-13-23-36(34)50-44(38)48-42(46-40)29-18-8-3-9-19-29/h1-38H;1-34H;1-30H;1-26H
InChIKeyAPOCCXFQSAVIAB-UHFFFAOYSA-N
XLogP58.88
TPSA219.38 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms236
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003139.94
LogP ≤ 558.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine (CID 157189714) is 2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc7oc8ccccc8c67)c5)c4)c3)cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc6sc7ccccc7c56)c4)c3)cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc5sc6ccccc6c45)c3)cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)c2)cc1.c1ccc(-c2cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)cc(-c3nc(-c4ccccc4)nc4sc5ccccc5c34)c2)cc1.
What is the InChIKey of 2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is APOCCXFQSAVIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4OS.C56H34N4S2.C50H30N4S2.C44H26N4S2/c1-4-17-39(18-5-1)48-36-49(38-50(37-48)58-56-52-30-11-13-32-54(52)68-62(56)66-60(64-58)41-21-8-3-9-22-41)46-27-15-25-44(34-46)42-23-14-24-43(33-42)45-26-16-28-47(35-45)57-55-51-29-10-12-31-53(51)67-61(55)65-59(63-57)40-19-6-2-7-20-40;1-4-16-35(17-5-1)42-32-43(34-44(33-42)52-50-46-27-11-13-29-48(46)62-56(50)60-54(58-52)37-20-8-3-9-21-37)40-24-14-22-38(30-40)39-23-15-25-41(31-39)51-49-45-26-10-12-28-47(45)61-55(49)59-53(57-51)36-18-6-2-7-19-36;1-4-15-31(16-5-1)36-28-37(30-38(29-36)46-44-40-24-11-13-26-42(40)56-50(44)54-48(52-46)33-19-8-3-9-20-33)34-21-14-22-35(27-34)45-43-39-23-10-12-25-41(39)55-49(43)53-47(51-45)32-17-6-2-7-18-32;1-4-14-27(15-5-1)30-24-31(39-37-33-20-10-12-22-35(33)49-43(37)47-41(45-39)28-16-6-2-7-17-28)26-32(25-30)40-38-34-21-11-13-23-36(34)50-44(38)48-42(46-40)29-18-8-3-9-19-29/h1-38H;1-34H;1-30H;1-26H.
What are the key properties of 2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine?
2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 3139.94 g/mol, XLogP of 58.88, 26 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-[3-[3-[3-[3-phenyl-5-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 157189714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).