12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C159H97N15O2S2 — CID 162204765

About 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 162204765) has the molecular formula C159H97N15O2S2 and a molecular weight of 2313.76 g/mol. Its IUPAC name is 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 162204765
• Molecular Formula: C159H97N15O2S2
• Molecular Weight: 2313.76 g/mol
• Exact Mass: 2311.74
• IUPAC Name: 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c5ccccc5c5c6ccccc6sc5c3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1
• InChI: InChI=1S/2C43H26N4S.C40H25N3O.C33H20N4O/c1-4-14-27(15-5-1)41-44-42(28-16-6-2-7-17-28)46-43(45-41)29-24-25-35-34(26-29)37-31-20-10-11-21-32(31)38-33-22-12-13-23-36(33)48-40(38)39(37)47(35)30-18-8-3-9-19-30;1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)29-23-25-30(26-24-29)47-35-21-11-9-19-33(35)37-31-17-7-8-18-32(31)38-34-20-10-12-22-36(34)48-40(38)39(37)47;1-3-12-26(13-4-1)33-25-34(27-14-5-2-6-15-27)42-40(41-33)28-16-11-17-29(24-28)43-35-20-9-7-18-30(35)31-22-23-37-38(39(31)43)32-19-8-10-21-36(32)44-37;1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-26-17-9-7-16-25(26)29-27(37)20-19-24-23-15-8-10-18-28(23)38-30(24)29/h2*1-26H;1-25H;1-20H
• InChIKey: ZSASXYXBHHSQFG-UHFFFAOYSA-N
• XLogP: 41.66
• TPSA: 187.79 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2313.76
LogP ≤ 5	41.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 162204765) is 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7sc6c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c5ccccc5c5c6ccccc6sc5c3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1.

What is the InChIKey of 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is ZSASXYXBHHSQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H26N4S.C40H25N3O.C33H20N4O/c1-4-14-27(15-5-1)41-44-42(28-16-6-2-7-17-28)46-43(45-41)29-24-25-35-34(26-29)37-31-20-10-11-21-32(31)38-33-22-12-13-23-36(33)48-40(38)39(37)47(35)30-18-8-3-9-19-30;1-3-13-27(14-4-1)41-44-42(28-15-5-2-6-16-28)46-43(45-41)29-23-25-30(26-24-29)47-35-21-11-9-19-33(35)37-31-17-7-8-18-32(31)38-34-20-10-12-22-36(34)48-40(38)39(37)47;1-3-12-26(13-4-1)33-25-34(27-14-5-2-6-15-27)42-40(41-33)28-16-11-17-29(24-28)43-35-20-9-7-18-30(35)31-22-23-37-38(39(31)43)32-19-8-10-21-36(32)44-37;1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-26-17-9-7-16-25(26)29-27(37)20-19-24-23-15-8-10-18-28(23)38-30(24)29/h2*1-26H;1-25H;1-20H.

What are the key properties of 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 2313.76 g/mol, XLogP of 41.66, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 162204765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).