10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole

C62H36N4OS — CID 138475168

About 10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole

10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole (PubChem CID 138475168) has the molecular formula C62H36N4OS and a molecular weight of 885.06 g/mol. Its IUPAC name is 10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
• PubChem CID: 138475168
• Molecular Formula: C62H36N4OS
• Molecular Weight: 885.06 g/mol
• Exact Mass: 884.26
• IUPAC Name: 10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
• SMILES: c1ccc(-c2nc(-n3c4ccc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7c6c5)cc4c4cc5c(cc43)sc3ccccc35)nc3ccccc23)cc1
• InChI: InChI=1S/C62H36N4OS/c1-3-14-37(15-4-1)61-45-20-7-10-22-51(45)63-62(64-61)66-54-29-26-38(32-47(54)48-35-49-44-19-9-12-25-58(44)68-59(49)36-55(48)66)39-28-31-56-50(33-39)60-42(21-13-24-57(60)67-56)40-27-30-53-46(34-40)43-18-8-11-23-52(43)65(53)41-16-5-2-6-17-41/h1-36H
• InChIKey: SJWLULDOHVYFPP-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 48.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.06
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole?

The IUPAC name of 10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole (CID 138475168) is 10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole.

What is the SMILES notation for 10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole?

The canonical SMILES for 10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole is c1ccc(-c2nc(-n3c4ccc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)c7c6c5)cc4c4cc5c(cc43)sc3ccccc35)nc3ccccc23)cc1.

What is the InChIKey of 10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole?

The InChIKey is SJWLULDOHVYFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4OS/c1-3-14-37(15-4-1)61-45-20-7-10-22-51(45)63-62(64-61)66-54-29-26-38(32-47(54)48-35-49-44-19-9-12-25-58(44)68-59(49)36-55(48)66)39-28-31-56-50(33-39)60-42(21-13-24-57(60)67-56)40-27-30-53-46(34-40)43-18-8-11-23-52(43)65(53)41-16-5-2-6-17-41/h1-36H.

What are the key properties of 10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole?

10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 885.06 g/mol, XLogP of 17.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 138475168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).