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

C174H106N12S6 — CID 157163542

IUPAC2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5-c5ccccc5-c5nc(-c6cccc(-c7ccccc7)c6)nc6sc7ccccc7c56)c4)c4c(n3)sc3ccccc34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc5sc6ccccc6c45)c4c(n3)sc3ccccc34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)sc4ccccc45)c4c(n3)sc3ccccc34)c2)cc1
InChIInChI=1S/2C62H38N4S2.C50H30N4S2/c1-3-19-39(20-4-1)41-23-17-25-43(37-41)59-63-57(55-51-33-13-15-35-53(51)67-61(55)65-59)49-31-11-9-29-47(49)45-27-7-8-28-46(45)48-30-10-12-32-50(48)58-56-52-34-14-16-36-54(52)68-62(56)66-60(64-58)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)59-63-57(55-51-32-11-13-34-53(51)67-61(55)65-59)44-25-17-24-43(38-44)47-28-7-8-29-48(47)49-30-9-10-31-50(49)58-56-52-33-12-14-35-54(52)68-62(56)66-60(64-58)46-27-16-23-42(37-46)40-20-5-2-6-21-40;1-3-15-31(16-4-1)33-19-13-21-35(29-33)45-43-39-25-9-11-27-41(39)55-49(43)54-48(51-45)38-24-8-7-23-37(38)46-44-40-26-10-12-28-42(40)56-50(44)53-47(52-46)36-22-14-20-34(30-36)32-17-5-2-6-18-32/h2*1-38H;1-30H
InChIKeyAMQMZQOCLYCARU-UHFFFAOYSA-N
MW2557.25 g/mol
LogP48.68
Rot. Bonds22

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

2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine (PubChem CID 157163542) has the molecular formula C174H106N12S6 and a molecular weight of 2557.25 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
PubChem CID157163542
Molecular FormulaC174H106N12S6
Molecular Weight2557.25 g/mol
Exact Mass2554.70
IUPAC Name2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5-c5ccccc5-c5nc(-c6cccc(-c7ccccc7)c6)nc6sc7ccccc7c56)c4)c4c(n3)sc3ccccc34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc5sc6ccccc6c45)c4c(n3)sc3ccccc34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)sc4ccccc45)c4c(n3)sc3ccccc34)c2)cc1
InChIInChI=1S/2C62H38N4S2.C50H30N4S2/c1-3-19-39(20-4-1)41-23-17-25-43(37-41)59-63-57(55-51-33-13-15-35-53(51)67-61(55)65-59)49-31-11-9-29-47(49)45-27-7-8-28-46(45)48-30-10-12-32-50(48)58-56-52-34-14-16-36-54(52)68-62(56)66-60(64-58)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)59-63-57(55-51-32-11-13-34-53(51)67-61(55)65-59)44-25-17-24-43(38-44)47-28-7-8-29-48(47)49-30-9-10-31-50(49)58-56-52-33-12-14-35-54(52)68-62(56)66-60(64-58)46-27-16-23-42(37-46)40-20-5-2-6-21-40;1-3-15-31(16-4-1)33-19-13-21-35(29-33)45-43-39-25-9-11-27-41(39)55-49(43)54-48(51-45)38-24-8-7-23-37(38)46-44-40-26-10-12-28-42(40)56-50(44)53-47(52-46)36-22-14-20-34(30-36)32-17-5-2-6-18-32/h2*1-38H;1-30H
InChIKeyAMQMZQOCLYCARU-UHFFFAOYSA-N
XLogP48.68
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002557.25
LogP ≤ 548.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine?
The IUPAC name of 2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine (CID 157163542) is 2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine?
The canonical SMILES for 2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5-c5ccccc5-c5nc(-c6cccc(-c7ccccc7)c6)nc6sc7ccccc7c56)c4)c4c(n3)sc3ccccc34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)nc5sc6ccccc6c45)c4c(n3)sc3ccccc34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)sc4ccccc45)c4c(n3)sc3ccccc34)c2)cc1.
What is the InChIKey of 2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine?
The InChIKey is AMQMZQOCLYCARU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H38N4S2.C50H30N4S2/c1-3-19-39(20-4-1)41-23-17-25-43(37-41)59-63-57(55-51-33-13-15-35-53(51)67-61(55)65-59)49-31-11-9-29-47(49)45-27-7-8-28-46(45)48-30-10-12-32-50(48)58-56-52-34-14-16-36-54(52)68-62(56)66-60(64-58)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)59-63-57(55-51-32-11-13-34-53(51)67-61(55)65-59)44-25-17-24-43(38-44)47-28-7-8-29-48(47)49-30-9-10-31-50(49)58-56-52-33-12-14-35-54(52)68-62(56)66-60(64-58)46-27-16-23-42(37-46)40-20-5-2-6-21-40;1-3-15-31(16-4-1)33-19-13-21-35(29-33)45-43-39-25-9-11-27-41(39)55-49(43)54-48(51-45)38-24-8-7-23-37(38)46-44-40-26-10-12-28-42(40)56-50(44)53-47(52-46)36-22-14-20-34(30-36)32-17-5-2-6-18-32/h2*1-38H;1-30H.
What are the key properties of 2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine?
2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine has a molecular weight of 2557.25 g/mol, XLogP of 48.68, 22 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenyl)-4-[2-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[3-[2-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine is sourced from PubChem (CID 157163542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).