5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole

C120H70N10OS2 — CID 158212770

About 5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole

5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 158212770) has the molecular formula C120H70N10OS2 and a molecular weight of 1732.08 g/mol. Its IUPAC name is 5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
• PubChem CID: 158212770
• Molecular Formula: C120H70N10OS2
• Molecular Weight: 1732.08 g/mol
• Exact Mass: 1730.52
• IUPAC Name: 5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9c%10sc%11ccccc%11c%10ccc98)ccc76)cc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6cc(-n7c8ccccc8c8c9sc%10ccccc%10c9ccc87)ccc65)cccc34)n2)cc1
• InChI: InChI=1S/C63H37N5S.C57H33N5OS/c1-3-15-38(16-4-1)61-64-62(39-17-5-2-6-18-39)66-63(65-61)40-27-30-45-46-31-28-41(36-52(46)44-20-8-7-19-43(44)51(45)35-40)67-54-24-12-9-21-47(54)53-37-42(29-33-56(53)67)68-55-25-13-10-23-50(55)59-57(68)34-32-49-48-22-11-14-26-58(48)69-60(49)59;1-3-15-34(16-4-1)55-58-56(35-17-5-2-6-18-35)60-57(59-55)43-24-13-22-39-40-23-14-27-49(53(40)63-52(39)43)62-45-25-10-7-19-37(45)44-33-36(29-31-47(44)62)61-46-26-11-8-21-42(46)51-48(61)32-30-41-38-20-9-12-28-50(38)64-54(41)51/h1-37H;1-33H
• InChIKey: GCGVFVVIYMUCMU-UHFFFAOYSA-N
• XLogP: 32.23
• TPSA: 110.20 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1732.08
LogP ≤ 5	32.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole?

The IUPAC name of 5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole (CID 158212770) is 5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole.

What is the SMILES notation for 5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole?

The canonical SMILES for 5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9c%10sc%11ccccc%11c%10ccc98)ccc76)cc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-n5c6ccccc6c6cc(-n7c8ccccc8c8c9sc%10ccccc%10c9ccc87)ccc65)cccc34)n2)cc1.

What is the InChIKey of 5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole?

The InChIKey is GCGVFVVIYMUCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5S.C57H33N5OS/c1-3-15-38(16-4-1)61-64-62(39-17-5-2-6-18-39)66-63(65-61)40-27-30-45-46-31-28-41(36-52(46)44-20-8-7-19-43(44)51(45)35-40)67-54-24-12-9-21-47(54)53-37-42(29-33-56(53)67)68-55-25-13-10-23-50(55)59-57(68)34-32-49-48-22-11-14-26-58(48)69-60(49)59;1-3-15-34(16-4-1)55-58-56(35-17-5-2-6-18-35)60-57(59-55)43-24-13-22-39-40-23-14-27-49(53(40)63-52(39)43)62-45-25-10-7-19-37(45)44-33-36(29-31-47(44)62)61-46-26-11-8-21-42(46)51-48(61)32-30-41-38-20-9-12-28-50(38)64-54(41)51/h1-37H;1-33H.

What are the key properties of 5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole?

5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 1732.08 g/mol, XLogP of 32.23, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 158212770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).