4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine

C169H103N13O5S — CID 158730008

About 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine

4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 158730008) has the molecular formula C169H103N13O5S and a molecular weight of 2427.84 g/mol. Its IUPAC name is 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
• PubChem CID: 158730008
• Molecular Formula: C169H103N13O5S
• Molecular Weight: 2427.84 g/mol
• Exact Mass: 2425.79
• IUPAC Name: 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc3oc4ccccc4c23)c1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)c3c(n2)oc2ccccc23)cc1
• InChI: InChI=1S/C46H28N4O.C43H29N3O.C40H23N3O2.C40H23N3OS/c1-3-14-29(15-4-1)45-47-43(42-36-22-9-12-25-40(36)51-46(42)48-45)30-16-13-19-32(28-30)49-38-24-11-8-21-35(38)41-39(49)27-26-34-33-20-7-10-23-37(33)50(44(34)41)31-17-5-2-6-18-31;1-43(2)33-20-9-6-17-29(33)30-23-24-35-37(39(30)43)31-18-7-10-21-34(31)46(35)28-16-12-15-27(25-28)40-38-32-19-8-11-22-36(32)47-42(38)45-41(44-40)26-13-4-3-5-14-26;1-2-11-24(12-3-1)39-41-37(36-30-17-6-9-20-34(30)45-40(36)42-39)25-13-10-14-26(23-25)43-31-18-7-4-16-29(31)35-32(43)22-21-28-27-15-5-8-19-33(27)44-38(28)35;1-2-11-24(12-3-1)39-41-37(36-30-17-5-8-19-33(30)44-40(36)42-39)25-13-10-14-26(23-25)43-31-18-7-4-16-29(31)35-32(43)22-21-28-27-15-6-9-20-34(27)45-38(28)35/h1-28H;3-25H,1-2H3;2*1-23H
• InChIKey: IKYZMFUARZTPOL-UHFFFAOYSA-N
• XLogP: 44.90
• TPSA: 193.47 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2427.84
LogP ≤ 5	44.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine?

The IUPAC name of 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine (CID 158730008) is 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine.

What is the SMILES notation for 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine?

The canonical SMILES for 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc3oc4ccccc4c23)c1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)c3c(n2)oc2ccccc23)cc1.

What is the InChIKey of 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine?

The InChIKey is IKYZMFUARZTPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O.C43H29N3O.C40H23N3O2.C40H23N3OS/c1-3-14-29(15-4-1)45-47-43(42-36-22-9-12-25-40(36)51-46(42)48-45)30-16-13-19-32(28-30)49-38-24-11-8-21-35(38)41-39(49)27-26-34-33-20-7-10-23-37(33)50(44(34)41)31-17-5-2-6-18-31;1-43(2)33-20-9-6-17-29(33)30-23-24-35-37(39(30)43)31-18-7-10-21-34(31)46(35)28-16-12-15-27(25-28)40-38-32-19-8-11-22-36(32)47-42(38)45-41(44-40)26-13-4-3-5-14-26;1-2-11-24(12-3-1)39-41-37(36-30-17-6-9-20-34(30)45-40(36)42-39)25-13-10-14-26(23-25)43-31-18-7-4-16-29(31)35-32(43)22-21-28-27-15-5-8-19-33(27)44-38(28)35;1-2-11-24(12-3-1)39-41-37(36-30-17-5-8-19-33(30)44-40(36)42-39)25-13-10-14-26(23-25)43-31-18-7-4-16-29(31)35-32(43)22-21-28-27-15-6-9-20-34(27)45-38(28)35/h1-28H;3-25H,1-2H3;2*1-23H.

What are the key properties of 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine?

4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 2427.84 g/mol, XLogP of 44.90, 13 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 158730008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).