10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole

C120H74N10S2 — CID 161495487

About 10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole

10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole (PubChem CID 161495487) has the molecular formula C120H74N10S2 and a molecular weight of 1720.12 g/mol. Its IUPAC name is 10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
• PubChem CID: 161495487
• Molecular Formula: C120H74N10S2
• Molecular Weight: 1720.12 g/mol
• Exact Mass: 1718.55
• IUPAC Name: 10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7c8ccc8c9ccccc9n(-c9ccccc9)c87)ccc65)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6c7ccc7c8ccccc8n(-c8ccccc8)c76)ccc54)c3)n2)cc1
• InChI: InChI=1S/C63H39N5S.C57H35N5S/c1-4-17-40(18-5-1)61-64-62(41-19-6-2-7-20-41)66-63(65-61)45-23-14-21-42(37-45)43-22-15-26-47(38-43)67-55-31-12-11-28-50(55)54-39-44(33-36-57(54)67)48-29-16-30-52-53-35-34-51-49-27-10-13-32-56(49)68(46-24-8-3-9-25-46)58(51)60(53)69-59(48)52;1-4-16-36(17-5-1)55-58-56(37-18-6-2-7-19-37)60-57(59-55)39-20-14-23-41(34-39)61-49-28-12-11-25-44(49)48-35-38(30-33-51(48)61)42-26-15-27-46-47-32-31-45-43-24-10-13-29-50(43)62(40-21-8-3-9-22-40)52(45)54(47)63-53(42)46/h1-39H;1-35H
• InChIKey: WGDHYOIAHBEQTF-UHFFFAOYSA-N
• XLogP: 31.87
• TPSA: 97.06 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1720.12
LogP ≤ 5	31.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?

The IUPAC name of 10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole (CID 161495487) is 10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole.

What is the SMILES notation for 10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?

The canonical SMILES for 10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7c8ccc8c9ccccc9n(-c9ccccc9)c87)ccc65)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6c7ccc7c8ccccc8n(-c8ccccc8)c76)ccc54)c3)n2)cc1.

What is the InChIKey of 10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?

The InChIKey is WGDHYOIAHBEQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5S.C57H35N5S/c1-4-17-40(18-5-1)61-64-62(41-19-6-2-7-20-41)66-63(65-61)45-23-14-21-42(37-45)43-22-15-26-47(38-43)67-55-31-12-11-28-50(55)54-39-44(33-36-57(54)67)48-29-16-30-52-53-35-34-51-49-27-10-13-32-56(49)68(46-24-8-3-9-25-46)58(51)60(53)69-59(48)52;1-4-16-36(17-5-1)55-58-56(37-18-6-2-7-19-37)60-57(59-55)39-20-14-23-41(34-39)61-49-28-12-11-25-44(49)48-35-38(30-33-51(48)61)42-26-15-27-46-47-32-31-45-43-24-10-13-29-50(43)62(40-21-8-3-9-22-40)52(45)54(47)63-53(42)46/h1-39H;1-35H.

What are the key properties of 10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?

10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 1720.12 g/mol, XLogP of 31.87, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 161495487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).