2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine

C366H234N40S8 — CID 159159040

IUPAC2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESCc1sc2c(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)cc3)nc2c1C.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)nc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc4c3sc3ccccc34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)c5)c4)cc3)n2)cc1
InChIInChI=1S/3C49H31N5S.C47H33N5S.4C43H27N5S/c1-4-15-32(16-5-1)35-21-12-23-37(29-35)47-52-48(38-24-13-22-36(30-38)33-17-6-2-7-18-33)54-49(53-47)40-26-14-25-39(31-40)46-50-43(34-19-8-3-9-20-34)45-44(51-46)41-27-10-11-28-42(41)55-45;1-4-14-33(15-5-1)43-45-44(41-24-10-11-25-42(41)55-45)51-49(50-43)40-23-13-22-39(31-40)38-21-12-20-37(30-38)32-26-28-36(29-27-32)48-53-46(34-16-6-2-7-17-34)52-47(54-48)35-18-8-3-9-19-35;1-4-13-32(14-5-1)33-23-25-34(26-24-33)35-27-29-36(30-28-35)43-45-44(41-21-10-11-22-42(41)55-45)51-48(50-43)39-19-12-20-40(31-39)49-53-46(37-15-6-2-7-16-37)52-47(54-49)38-17-8-3-9-18-38;1-30-31(2)53-43-41(30)48-44(49-42(43)33-14-6-3-7-15-33)36-26-24-32(25-27-36)37-20-12-21-38(28-37)39-22-13-23-40(29-39)47-51-45(34-16-8-4-9-17-34)50-46(52-47)35-18-10-5-11-19-35;1-4-14-28(15-5-1)31-20-12-21-32(26-31)37-39-38(35-24-10-11-25-36(35)49-39)45-42(44-37)33-22-13-23-34(27-33)43-47-40(29-16-6-2-7-17-29)46-41(48-43)30-18-8-3-9-19-30;1-4-14-28(15-5-1)31-20-12-21-32(26-31)42-46-40(30-18-8-3-9-19-30)47-43(48-42)34-23-13-22-33(27-34)41-44-37(29-16-6-2-7-17-29)39-38(45-41)35-24-10-11-25-36(35)49-39;1-4-13-28(14-5-1)29-23-25-30(26-24-29)37-39-38(35-21-10-11-22-36(35)49-39)45-42(44-37)33-19-12-20-34(27-33)43-47-40(31-15-6-2-7-16-31)46-41(48-43)32-17-8-3-9-18-32;1-4-13-28(14-5-1)29-23-25-32(26-24-29)41-46-40(31-17-8-3-9-18-31)47-43(48-41)34-20-12-19-33(27-34)42-44-37(30-15-6-2-7-16-30)39-38(45-42)35-21-10-11-22-36(35)49-39/h3*1-31H;3-29H,1-2H3;4*1-27H
InChIKeyKKGMRWUSFYHZRZ-UHFFFAOYSA-N
MW5448.71 g/mol
LogP94.38
Rot. Bonds52

About 2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine

2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 159159040) has the molecular formula C366H234N40S8 and a molecular weight of 5448.71 g/mol. Its IUPAC name is 2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID159159040
Molecular FormulaC366H234N40S8
Molecular Weight5448.71 g/mol
Exact Mass5443.73
IUPAC Name2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESCc1sc2c(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)cc3)nc2c1C.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)nc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc4c3sc3ccccc34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)c5)c4)cc3)n2)cc1
InChIInChI=1S/3C49H31N5S.C47H33N5S.4C43H27N5S/c1-4-15-32(16-5-1)35-21-12-23-37(29-35)47-52-48(38-24-13-22-36(30-38)33-17-6-2-7-18-33)54-49(53-47)40-26-14-25-39(31-40)46-50-43(34-19-8-3-9-20-34)45-44(51-46)41-27-10-11-28-42(41)55-45;1-4-14-33(15-5-1)43-45-44(41-24-10-11-25-42(41)55-45)51-49(50-43)40-23-13-22-39(31-40)38-21-12-20-37(30-38)32-26-28-36(29-27-32)48-53-46(34-16-6-2-7-17-34)52-47(54-48)35-18-8-3-9-19-35;1-4-13-32(14-5-1)33-23-25-34(26-24-33)35-27-29-36(30-28-35)43-45-44(41-21-10-11-22-42(41)55-45)51-48(50-43)39-19-12-20-40(31-39)49-53-46(37-15-6-2-7-16-37)52-47(54-49)38-17-8-3-9-18-38;1-30-31(2)53-43-41(30)48-44(49-42(43)33-14-6-3-7-15-33)36-26-24-32(25-27-36)37-20-12-21-38(28-37)39-22-13-23-40(29-39)47-51-45(34-16-8-4-9-17-34)50-46(52-47)35-18-10-5-11-19-35;1-4-14-28(15-5-1)31-20-12-21-32(26-31)37-39-38(35-24-10-11-25-36(35)49-39)45-42(44-37)33-22-13-23-34(27-33)43-47-40(29-16-6-2-7-17-29)46-41(48-43)30-18-8-3-9-19-30;1-4-14-28(15-5-1)31-20-12-21-32(26-31)42-46-40(30-18-8-3-9-19-30)47-43(48-42)34-23-13-22-33(27-34)41-44-37(29-16-6-2-7-17-29)39-38(45-41)35-24-10-11-25-36(35)49-39;1-4-13-28(14-5-1)29-23-25-30(26-24-29)37-39-38(35-21-10-11-22-36(35)49-39)45-42(44-37)33-19-12-20-34(27-33)43-47-40(31-15-6-2-7-16-31)46-41(48-43)32-17-8-3-9-18-32;1-4-13-28(14-5-1)29-23-25-32(26-24-29)41-46-40(31-17-8-3-9-18-31)47-43(48-41)34-20-12-19-33(27-34)42-44-37(30-15-6-2-7-16-30)39-38(45-42)35-21-10-11-22-36(35)49-39/h3*1-31H;3-29H,1-2H3;4*1-27H
InChIKeyKKGMRWUSFYHZRZ-UHFFFAOYSA-N
XLogP94.38
TPSA515.60 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds52
Heavy Atoms414
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005448.71
LogP ≤ 594.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

2-(3-phenylphenyl)-4-[3-[3-[3-phenyl-5-[3-[4-[3-[3-[3-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 163725705
4-(3-phenylphenyl)-2-[3-[4-(3-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118229366
4-phenyl-2-[4-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118229340
4-(4-phenylphenyl)-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118229358
4-phenyl-2-[3-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118229396
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 122628624
2-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118229400
2-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130210493
4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 159932123
4-(3,5-diphenylphenyl)-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 118229346
4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 122489611
4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;ethane
CID 159327254

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine (CID 159159040) is 2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine is Cc1sc2c(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)cc3)nc2c1C.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)nc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc4c3sc3ccccc34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)c5)c4)cc3)n2)cc1.
What is the InChIKey of 2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is KKGMRWUSFYHZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C49H31N5S.C47H33N5S.4C43H27N5S/c1-4-15-32(16-5-1)35-21-12-23-37(29-35)47-52-48(38-24-13-22-36(30-38)33-17-6-2-7-18-33)54-49(53-47)40-26-14-25-39(31-40)46-50-43(34-19-8-3-9-20-34)45-44(51-46)41-27-10-11-28-42(41)55-45;1-4-14-33(15-5-1)43-45-44(41-24-10-11-25-42(41)55-45)51-49(50-43)40-23-13-22-39(31-40)38-21-12-20-37(30-38)32-26-28-36(29-27-32)48-53-46(34-16-6-2-7-17-34)52-47(54-48)35-18-8-3-9-19-35;1-4-13-32(14-5-1)33-23-25-34(26-24-33)35-27-29-36(30-28-35)43-45-44(41-21-10-11-22-42(41)55-45)51-48(50-43)39-19-12-20-40(31-39)49-53-46(37-15-6-2-7-16-37)52-47(54-49)38-17-8-3-9-18-38;1-30-31(2)53-43-41(30)48-44(49-42(43)33-14-6-3-7-15-33)36-26-24-32(25-27-36)37-20-12-21-38(28-37)39-22-13-23-40(29-39)47-51-45(34-16-8-4-9-17-34)50-46(52-47)35-18-10-5-11-19-35;1-4-14-28(15-5-1)31-20-12-21-32(26-31)37-39-38(35-24-10-11-25-36(35)49-39)45-42(44-37)33-22-13-23-34(27-33)43-47-40(29-16-6-2-7-17-29)46-41(48-43)30-18-8-3-9-19-30;1-4-14-28(15-5-1)31-20-12-21-32(26-31)42-46-40(30-18-8-3-9-19-30)47-43(48-42)34-23-13-22-33(27-34)41-44-37(29-16-6-2-7-17-29)39-38(45-41)35-24-10-11-25-36(35)49-39;1-4-13-28(14-5-1)29-23-25-30(26-24-29)37-39-38(35-21-10-11-22-36(35)49-39)45-42(44-37)33-19-12-20-34(27-33)43-47-40(31-15-6-2-7-16-31)46-41(48-43)32-17-8-3-9-18-32;1-4-13-28(14-5-1)29-23-25-32(26-24-29)41-46-40(31-17-8-3-9-18-31)47-43(48-41)34-20-12-19-33(27-34)42-44-37(30-15-6-2-7-16-30)39-38(45-42)35-21-10-11-22-36(35)49-39/h3*1-31H;3-29H,1-2H3;4*1-27H.
What are the key properties of 2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 5448.71 g/mol, XLogP of 94.38, 52 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6,7-dimethyl-4-phenylthieno[3,2-d]pyrimidine;2-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 159159040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).