2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine

C292H184N16O3S5 — CID 163663232

About 2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine

2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 163663232) has the molecular formula C292H184N16O3S5 and a molecular weight of 4125.13 g/mol. Its IUPAC name is 2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 163663232
• Molecular Formula: C292H184N16O3S5
• Molecular Weight: 4125.13 g/mol
• Exact Mass: 4121.33
• IUPAC Name: 2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
• SMILES: c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c4)c3)cc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5sc6ccccc6c5n4)c3)c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3oc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c3oc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c4)c3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c3oc4ccccc4c3n2)cc1.c1ccc(-c2ncnc3c2sc2ccccc23)cc1.c1ccc(C2(c3cccc(-c4cccc(-c5ncc6sc7ccccc7c6n5)c4)c3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C53H34N2S.C46H30N2S.C41H26N2S.C40H24N2O.C40H26N2S.C34H20N2O.C22H14N2O.C16H10N2S/c1-3-16-35(17-4-1)49-51-50(45-28-9-12-31-48(45)56-51)55-52(54-49)40-22-14-20-38(33-40)36-18-13-19-37(32-36)39-21-15-25-42(34-39)53(41-23-5-2-6-24-41)46-29-10-7-26-43(46)44-27-8-11-30-47(44)53;1-4-14-31(15-5-1)34-20-12-21-35(26-34)36-22-13-23-37(27-36)46-47-43(45-44(48-46)41-24-10-11-25-42(41)49-45)40-29-38(32-16-6-2-7-17-32)28-39(30-40)33-18-8-3-9-19-33;1-2-15-30(16-3-1)41(35-21-7-4-18-32(35)33-19-5-8-22-36(33)41)31-17-11-13-28(25-31)27-12-10-14-29(24-27)40-42-26-38-39(43-40)34-20-6-9-23-37(34)44-38;1-2-11-25(12-3-1)40-41-37(39-38(42-40)34-19-8-9-20-36(34)43-39)28-14-10-13-26(23-28)27-21-22-33-31-17-5-4-15-29(31)30-16-6-7-18-32(30)35(33)24-27;1-3-11-27(12-4-1)28-21-23-29(24-22-28)31-15-9-16-32(25-31)33-17-10-18-34(26-33)40-41-37(30-13-5-2-6-14-30)39-38(42-40)35-19-7-8-20-36(35)43-39;1-2-10-21(11-3-1)34-35-31(33-32(36-34)28-16-8-9-17-30(28)37-33)22-18-19-27-25-14-5-4-12-23(25)24-13-6-7-15-26(24)29(27)20-22;1-3-9-15(10-4-1)19-21-20(17-13-7-8-14-18(17)25-21)24-22(23-19)16-11-5-2-6-12-16;1-2-6-11(7-3-1)14-16-15(18-10-17-14)12-8-4-5-9-13(12)19-16/h1-34H;1-30H;1-26H;1-24H;1-26H;1-20H;1-14H;1-10H
• InChIKey: IWEFTDZLPVCYDA-UHFFFAOYSA-N
• XLogP: 78.67
• TPSA: 245.66 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 316
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4125.13
LogP ≤ 5	78.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine (CID 163663232) is 2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)c6sc7ccccc7c6n5)c4)c3)cc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5sc6ccccc6c5n4)c3)c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)c3oc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c3oc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c4)c3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c3oc4ccccc4c3n2)cc1.c1ccc(-c2ncnc3c2sc2ccccc23)cc1.c1ccc(C2(c3cccc(-c4cccc(-c5ncc6sc7ccccc7c6n5)c4)c3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is IWEFTDZLPVCYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2S.C46H30N2S.C41H26N2S.C40H24N2O.C40H26N2S.C34H20N2O.C22H14N2O.C16H10N2S/c1-3-16-35(17-4-1)49-51-50(45-28-9-12-31-48(45)56-51)55-52(54-49)40-22-14-20-38(33-40)36-18-13-19-37(32-36)39-21-15-25-42(34-39)53(41-23-5-2-6-24-41)46-29-10-7-26-43(46)44-27-8-11-30-47(44)53;1-4-14-31(15-5-1)34-20-12-21-35(26-34)36-22-13-23-37(27-36)46-47-43(45-44(48-46)41-24-10-11-25-42(41)49-45)40-29-38(32-16-6-2-7-17-32)28-39(30-40)33-18-8-3-9-19-33;1-2-15-30(16-3-1)41(35-21-7-4-18-32(35)33-19-5-8-22-36(33)41)31-17-11-13-28(25-31)27-12-10-14-29(24-27)40-42-26-38-39(43-40)34-20-6-9-23-37(34)44-38;1-2-11-25(12-3-1)40-41-37(39-38(42-40)34-19-8-9-20-36(34)43-39)28-14-10-13-26(23-28)27-21-22-33-31-17-5-4-15-29(31)30-16-6-7-18-32(30)35(33)24-27;1-3-11-27(12-4-1)28-21-23-29(24-22-28)31-15-9-16-32(25-31)33-17-10-18-34(26-33)40-41-37(30-13-5-2-6-14-30)39-38(42-40)35-19-7-8-20-36(35)43-39;1-2-10-21(11-3-1)34-35-31(33-32(36-34)28-16-8-9-17-30(28)37-33)22-18-19-27-25-14-5-4-12-23(25)24-13-6-7-15-26(24)29(27)20-22;1-3-9-15(10-4-1)19-21-20(17-13-7-8-14-18(17)25-21)24-22(23-19)16-11-5-2-6-12-16;1-2-6-11(7-3-1)14-16-15(18-10-17-14)12-8-4-5-9-13(12)19-16/h1-34H;1-30H;1-26H;1-24H;1-26H;1-20H;1-14H;1-10H.

What are the key properties of 2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?

2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 4125.13 g/mol, XLogP of 78.67, 29 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine;4-(3,5-diphenylphenyl)-2-[3-(3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-triphenylen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 163663232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).