4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine

C278H174N22O6S3 — CID 157075612

About 4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine

4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 157075612) has the molecular formula C278H174N22O6S3 and a molecular weight of 4014.80 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine
• PubChem CID: 157075612
• Molecular Formula: C278H174N22O6S3
• Molecular Weight: 4014.80 g/mol
• Exact Mass: 4011.31
• IUPAC Name: 4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4ccc(-c5ccccc5)nc4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4nc(-c5ccccc5)ccc4n3)cc2)cc1.c1ccc(-c2ccc3c(c2)sc2c(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4)nc23)cc1.c1ccc(-c2ccc3c(c2)sc2c(-c4ccccc4)nc(-c4ccccc4)nc23)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)c3sc4ncccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3oc4c5ccccc5ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c6ccccc6ccc5c34)n2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
• InChI: InChI=1S/C38H24N2O.C34H20N2OS.C32H20N2O.C31H19N3O.2C31H21N3.C28H18N2S.C27H15N3OS.C26H16N2O/c1-2-9-25(10-3-1)26-17-21-28(22-18-26)36-33-12-4-6-15-34(33)39-38(40-36)29-23-19-27(20-24-29)30-13-8-14-32-31-11-5-7-16-35(31)41-37(30)32;1-3-9-21(10-4-1)23-15-18-27-30(20-23)38-33-31(35-34(36-32(27)33)22-11-5-2-6-12-22)24-16-17-26-25-13-7-8-14-28(25)37-29(26)19-24;1-2-9-22(10-3-1)30-31(34-28-15-6-5-14-27(28)33-30)23-19-17-21(18-20-23)24-12-8-13-26-25-11-4-7-16-29(25)35-32(24)26;1-3-11-21(12-4-1)29-32-30(22-13-5-2-6-14-22)34-31(33-29)25-16-9-17-26-27(25)24-19-18-20-10-7-8-15-23(20)28(24)35-26;1-4-10-22(11-5-1)23-16-18-26(19-17-23)30-33-29(25-14-8-3-9-15-25)27-20-21-28(32-31(27)34-30)24-12-6-2-7-13-24;1-4-10-22(11-5-1)23-16-18-26(19-17-23)31-33-28-21-20-27(24-12-6-2-7-13-24)32-30(28)29(34-31)25-14-8-3-9-15-25;1-4-10-19(11-5-1)22-16-17-23-24(18-22)31-27-25(20-12-6-2-7-13-20)29-28(30-26(23)27)21-14-8-3-9-15-21;1-2-7-16(8-3-1)26-29-23(25-24(30-26)20-10-6-14-28-27(20)32-25)17-12-13-19-18-9-4-5-11-21(18)31-22(19)15-17;1-3-10-18(11-4-1)22-25-23(28-26(27-22)19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)24(21)29-25/h1-24H;1-20H;1-20H;1-19H;2*1-21H;1-18H;1-15H;1-16H
• InChIKey: ACYBZVXTXFEOQF-UHFFFAOYSA-N
• XLogP: 73.96
• TPSA: 362.42 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 309
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4014.80
LogP ≤ 5	73.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine?

The IUPAC name of 4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine (CID 157075612) is 4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine.

What is the SMILES notation for 4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine?

The canonical SMILES for 4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4ccc(-c5ccccc5)nc4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4nc(-c5ccccc5)ccc4n3)cc2)cc1.c1ccc(-c2ccc3c(c2)sc2c(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4)nc23)cc1.c1ccc(-c2ccc3c(c2)sc2c(-c4ccccc4)nc(-c4ccccc4)nc23)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)c3sc4ncccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3oc4c5ccccc5ccc4c3n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c6ccccc6ccc5c34)n2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.

What is the InChIKey of 4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine?

The InChIKey is ACYBZVXTXFEOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O.C34H20N2OS.C32H20N2O.C31H19N3O.2C31H21N3.C28H18N2S.C27H15N3OS.C26H16N2O/c1-2-9-25(10-3-1)26-17-21-28(22-18-26)36-33-12-4-6-15-34(33)39-38(40-36)29-23-19-27(20-24-29)30-13-8-14-32-31-11-5-7-16-35(31)41-37(30)32;1-3-9-21(10-4-1)23-15-18-27-30(20-23)38-33-31(35-34(36-32(27)33)22-11-5-2-6-12-22)24-16-17-26-25-13-7-8-14-28(25)37-29(26)19-24;1-2-9-22(10-3-1)30-31(34-28-15-6-5-14-27(28)33-30)23-19-17-21(18-20-23)24-12-8-13-26-25-11-4-7-16-29(25)35-32(24)26;1-3-11-21(12-4-1)29-32-30(22-13-5-2-6-14-22)34-31(33-29)25-16-9-17-26-27(25)24-19-18-20-10-7-8-15-23(20)28(24)35-26;1-4-10-22(11-5-1)23-16-18-26(19-17-23)30-33-29(25-14-8-3-9-15-25)27-20-21-28(32-31(27)34-30)24-12-6-2-7-13-24;1-4-10-22(11-5-1)23-16-18-26(19-17-23)31-33-28-21-20-27(24-12-6-2-7-13-24)32-30(28)29(34-31)25-14-8-3-9-15-25;1-4-10-19(11-5-1)22-16-17-23-24(18-22)31-27-25(20-12-6-2-7-13-20)29-28(30-26(23)27)21-14-8-3-9-15-21;1-2-7-16(8-3-1)26-29-23(25-24(30-26)20-10-6-14-28-27(20)32-25)17-12-13-19-18-9-4-5-11-21(18)31-22(19)15-17;1-3-10-18(11-4-1)22-25-23(28-26(27-22)19-12-5-2-6-13-19)21-16-15-17-9-7-8-14-20(17)24(21)29-25/h1-24H;1-20H;1-20H;1-19H;2*1-21H;1-18H;1-15H;1-16H.

What are the key properties of 4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine?

4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 4014.80 g/mol, XLogP of 73.96, 28 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 157075612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).