4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine

C185H110N16O7S — CID 157214617

About 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine

4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 157214617) has the molecular formula C185H110N16O7S and a molecular weight of 2701.09 g/mol. Its IUPAC name is 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine
• PubChem CID: 157214617
• Molecular Formula: C185H110N16O7S
• Molecular Weight: 2701.09 g/mol
• Exact Mass: 2698.85
• IUPAC Name: 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc5oc6ccccc6c45)c3c21.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c3c(n2)oc2ccccc23)cc1
• InChI: InChI=1S/C40H24N4O.C40H23N3O2.C37H25N3O.C34H19N3O2.C34H19N3OS/c1-3-13-25(14-4-1)38-41-39(35-31-19-9-12-22-34(31)45-40(35)42-38)44-33-21-11-8-18-28(33)30-24-23-29-27-17-7-10-20-32(27)43(36(29)37(30)44)26-15-5-2-6-16-26;1-2-10-25(11-3-1)39-41-36(35-31-14-6-9-17-34(31)45-40(35)42-39)24-18-20-26(21-19-24)43-32-15-7-4-12-27(32)29-22-23-30-28-13-5-8-16-33(28)44-38(30)37(29)43;1-37(2)28-17-9-6-14-23(28)25-20-21-26-24-15-7-10-18-29(24)40(33(26)32(25)37)35-31-27-16-8-11-19-30(27)41-36(31)39-34(38-35)22-12-4-3-5-13-22;1-2-10-20(11-3-1)32-35-33(29-25-14-6-9-17-28(25)39-34(29)36-32)37-26-15-7-4-12-21(26)23-18-19-24-22-13-5-8-16-27(22)38-31(24)30(23)37;1-2-10-20(11-3-1)32-35-33(29-25-14-5-8-16-27(25)38-34(29)36-32)37-26-15-7-4-12-21(26)23-18-19-24-22-13-6-9-17-28(22)39-31(24)30(23)37/h1-24H;1-23H;3-21H,1-2H3;2*1-19H
• InChIKey: ASGSCXGDTWSZGD-UHFFFAOYSA-N
• XLogP: 48.94
• TPSA: 250.46 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2701.09
LogP ≤ 5	48.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine?

The IUPAC name of 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine (CID 157214617) is 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine.

What is the SMILES notation for 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine?

The canonical SMILES for 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc5oc6ccccc6c45)c3c21.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)c3c(n2)oc2ccccc23)cc1.

What is the InChIKey of 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine?

The InChIKey is ASGSCXGDTWSZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O.C40H23N3O2.C37H25N3O.C34H19N3O2.C34H19N3OS/c1-3-13-25(14-4-1)38-41-39(35-31-19-9-12-22-34(31)45-40(35)42-38)44-33-21-11-8-18-28(33)30-24-23-29-27-17-7-10-20-32(27)43(36(29)37(30)44)26-15-5-2-6-16-26;1-2-10-25(11-3-1)39-41-36(35-31-14-6-9-17-34(31)45-40(35)42-39)24-18-20-26(21-19-24)43-32-15-7-4-12-27(32)29-22-23-30-28-13-5-8-16-33(28)44-38(30)37(29)43;1-37(2)28-17-9-6-14-23(28)25-20-21-26-24-15-7-10-18-29(24)40(33(26)32(25)37)35-31-27-16-8-11-19-30(27)41-36(31)39-34(38-35)22-12-4-3-5-13-22;1-2-10-20(11-3-1)32-35-33(29-25-14-6-9-17-28(25)39-34(29)36-32)37-26-15-7-4-12-21(26)23-18-19-24-22-13-5-8-16-27(22)38-31(24)30(23)37;1-2-10-20(11-3-1)32-35-33(29-25-14-5-8-16-27(25)38-34(29)36-32)37-26-15-7-4-12-21(26)23-18-19-24-22-13-6-9-17-28(22)39-31(24)30(23)37/h1-24H;1-23H;3-21H,1-2H3;2*1-19H.

What are the key properties of 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine?

4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 2701.09 g/mol, XLogP of 48.94, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;12-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole;12-[4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;2-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 157214617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).