5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole

C160H92N12O4S4 — CID 160840382

About 5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole

5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 160840382) has the molecular formula C160H92N12O4S4 and a molecular weight of 2374.84 g/mol. Its IUPAC name is 5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole
• PubChem CID: 160840382
• Molecular Formula: C160H92N12O4S4
• Molecular Weight: 2374.84 g/mol
• Exact Mass: 2372.62
• IUPAC Name: 5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)nc3c2oc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc4c3sc3c4ccc4c3c3ccccc3n4-c3ccccc3)nc3c2oc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc4c3sc3c4ccc4c3c3ccccc3n4-c3ccccc3)nc3c2sc2ccccc23)cc1
• InChI: InChI=1S/C40H23N3O2.2C40H23N3OS.C40H23N3S2/c1-3-12-24(13-4-1)35-39-36(29-17-8-10-21-33(29)44-39)42-40(41-35)30-19-11-18-26-27-22-23-32-34(38(27)45-37(26)30)28-16-7-9-20-31(28)43(32)25-14-5-2-6-15-25;1-3-12-24(13-4-1)35-37-36(29-17-8-10-21-33(29)44-37)42-40(41-35)30-19-11-18-26-27-22-23-32-34(39(27)45-38(26)30)28-16-7-9-20-31(28)43(32)25-14-5-2-6-15-25;1-3-12-24(13-4-1)35-39-36(29-17-8-10-21-33(29)45-39)42-40(41-35)30-19-11-18-26-27-22-23-32-34(38(27)44-37(26)30)28-16-7-9-20-31(28)43(32)25-14-5-2-6-15-25;1-3-12-24(13-4-1)35-39-36(29-17-8-10-21-33(29)44-39)42-40(41-35)30-19-11-18-26-27-22-23-32-34(38(27)45-37(26)30)28-16-7-9-20-31(28)43(32)25-14-5-2-6-15-25/h4*1-23H
• InChIKey: SHYKFOHWNYTZTD-UHFFFAOYSA-N
• XLogP: 44.70
• TPSA: 175.40 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2374.84
LogP ≤ 5	44.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole?

The IUPAC name of 5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole (CID 160840382) is 5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole.

What is the SMILES notation for 5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole?

The canonical SMILES for 5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)nc3c2oc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc4c3sc3c4ccc4c3c3ccccc3n4-c3ccccc3)nc3c2oc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc4c3sc3c4ccc4c3c3ccccc3n4-c3ccccc3)nc3c2sc2ccccc23)cc1.

What is the InChIKey of 5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole?

The InChIKey is SHYKFOHWNYTZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O2.2C40H23N3OS.C40H23N3S2/c1-3-12-24(13-4-1)35-39-36(29-17-8-10-21-33(29)44-39)42-40(41-35)30-19-11-18-26-27-22-23-32-34(38(27)45-37(26)30)28-16-7-9-20-31(28)43(32)25-14-5-2-6-15-25;1-3-12-24(13-4-1)35-37-36(29-17-8-10-21-33(29)44-37)42-40(41-35)30-19-11-18-26-27-22-23-32-34(39(27)45-38(26)30)28-16-7-9-20-31(28)43(32)25-14-5-2-6-15-25;1-3-12-24(13-4-1)35-39-36(29-17-8-10-21-33(29)45-39)42-40(41-35)30-19-11-18-26-27-22-23-32-34(38(27)44-37(26)30)28-16-7-9-20-31(28)43(32)25-14-5-2-6-15-25;1-3-12-24(13-4-1)35-39-36(29-17-8-10-21-33(29)44-39)42-40(41-35)30-19-11-18-26-27-22-23-32-34(38(27)45-37(26)30)28-16-7-9-20-31(28)43(32)25-14-5-2-6-15-25/h4*1-23H.

What are the key properties of 5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole?

5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 2374.84 g/mol, XLogP of 44.70, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-11-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;4-phenyl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-11-yl)-[1]benzofuro[3,2-d]pyrimidine;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-phenyl-11-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 160840382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).