2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine

C230H142N16S8 — CID 157149809

About 2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine

2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 157149809) has the molecular formula C230H142N16S8 and a molecular weight of 3386.31 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
• PubChem CID: 157149809
• Molecular Formula: C230H142N16S8
• Molecular Weight: 3386.31 g/mol
• Exact Mass: 3382.94
• IUPAC Name: 2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
• SMILES: C1=CC2Sc3c(-c4ccccc4-c4ccccc4-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)nc6c5sc5ccccc56)c4)nc(-c4cccc(-c5ccccc5)c4)nc3C2C=C1.c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc5c4sc4ccccc45)c4sc5ccccc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc5c4sc4ccccc45)c4sc5ccccc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc5c4sc4ccccc45)c4sc5ccccc5c4n3)c2)cc1
• InChI: InChI=1S/C62H38N4S2.C62H40N4S2.C56H34N4S2.C50H30N4S2/c1-3-19-39(20-4-1)41-23-17-25-43(37-41)61-63-55(59-57(65-61)51-33-13-15-35-53(51)67-59)49-31-11-9-29-47(49)45-27-7-8-28-46(45)48-30-10-12-32-50(48)56-60-58(52-34-14-16-36-54(52)68-60)66-62(64-56)44-26-18-24-42(38-44)40-21-5-2-6-22-40;1-3-18-39(19-4-1)41-22-15-26-45(36-41)61-63-55(59-57(65-61)51-32-11-13-34-53(51)67-59)44-25-17-24-43(38-44)47-28-7-8-29-48(47)49-30-9-10-31-50(49)56-60-58(52-33-12-14-35-54(52)68-60)66-62(64-56)46-27-16-23-42(37-46)40-20-5-2-6-21-40;1-3-17-35(18-4-1)37-21-15-23-39(33-37)55-57-49(53-51(59-55)45-29-11-13-31-47(45)61-53)43-27-9-7-25-41(43)42-26-8-10-28-44(42)50-54-52(46-30-12-14-32-48(46)62-54)60-56(58-50)40-24-16-22-38(34-40)36-19-5-2-6-20-36;1-3-15-31(16-4-1)33-19-13-21-35(29-33)49-51-43(47-45(53-49)39-25-9-11-27-41(39)55-47)37-23-7-8-24-38(37)44-48-46(40-26-10-12-28-42(40)56-48)54-50(52-44)36-22-14-20-34(30-36)32-17-5-2-6-18-32/h1-38H;1-38,52,54H;1-34H;1-30H
• InChIKey: ALCVJRJLHIGPFY-UHFFFAOYSA-N
• XLogP: 63.67
• TPSA: 206.24 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3386.31
LogP ≤ 5	63.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?

The IUPAC name of 2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine (CID 157149809) is 2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine.

What is the SMILES notation for 2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?

The canonical SMILES for 2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine is C1=CC2Sc3c(-c4ccccc4-c4ccccc4-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)nc6c5sc5ccccc56)c4)nc(-c4cccc(-c5ccccc5)c4)nc3C2C=C1.c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc5c4sc4ccccc45)c4sc5ccccc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc5c4sc4ccccc45)c4sc5ccccc5c4n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc5c4sc4ccccc45)c4sc5ccccc5c4n3)c2)cc1.

What is the InChIKey of 2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?

The InChIKey is ALCVJRJLHIGPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4S2.C62H40N4S2.C56H34N4S2.C50H30N4S2/c1-3-19-39(20-4-1)41-23-17-25-43(37-41)61-63-55(59-57(65-61)51-33-13-15-35-53(51)67-59)49-31-11-9-29-47(49)45-27-7-8-28-46(45)48-30-10-12-32-50(48)56-60-58(52-34-14-16-36-54(52)68-60)66-62(64-56)44-26-18-24-42(38-44)40-21-5-2-6-22-40;1-3-18-39(19-4-1)41-22-15-26-45(36-41)61-63-55(59-57(65-61)51-32-11-13-34-53(51)67-59)44-25-17-24-43(38-44)47-28-7-8-29-48(47)49-30-9-10-31-50(49)56-60-58(52-33-12-14-35-54(52)68-60)66-62(64-56)46-27-16-23-42(37-46)40-20-5-2-6-21-40;1-3-17-35(18-4-1)37-21-15-23-39(33-37)55-57-49(53-51(59-55)45-29-11-13-31-47(45)61-53)43-27-9-7-25-41(43)42-26-8-10-28-44(42)50-54-52(46-30-12-14-32-48(46)62-54)60-56(58-50)40-24-16-22-38(34-40)36-19-5-2-6-20-36;1-3-15-31(16-4-1)33-19-13-21-35(29-33)49-51-43(47-45(53-49)39-25-9-11-27-41(39)55-47)37-23-7-8-24-38(37)44-48-46(40-26-10-12-28-42(40)56-48)54-50(52-44)36-22-14-20-34(30-36)32-17-5-2-6-18-32/h1-38H;1-38,52,54H;1-34H;1-30H.

What are the key properties of 2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?

2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 3386.31 g/mol, XLogP of 63.67, 29 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-phenylphenyl)-4-[3-[2-[2-[2-(3-phenylphenyl)-5a,9a-dihydro-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 157149809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).