11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole

C108H66N10S2 — CID 157341243

About 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole

11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole (PubChem CID 157341243) has the molecular formula C108H66N10S2 and a molecular weight of 1567.92 g/mol. Its IUPAC name is 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
• PubChem CID: 157341243
• Molecular Formula: C108H66N10S2
• Molecular Weight: 1567.92 g/mol
• Exact Mass: 1566.49
• IUPAC Name: 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8cc9sc%10ccccc%10c9cc87)ccc65)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc8sc9ccccc9c8cc76)ccc54)c3)n2)cc1
• InChI: InChI=1S/C57H35N5S.C51H31N5S/c1-3-15-36(16-4-1)55-58-56(37-17-5-2-6-18-37)60-57(59-55)40-21-13-19-38(31-40)39-20-14-22-41(32-39)61-49-26-10-7-23-43(49)46-33-42(29-30-51(46)61)62-50-27-11-8-24-44(50)47-35-54-48(34-52(47)62)45-25-9-12-28-53(45)63-54;1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)34-18-13-19-35(28-34)55-43-23-10-7-20-37(43)40-29-36(26-27-45(40)55)56-44-24-11-8-21-38(44)41-31-48-42(30-46(41)56)39-22-9-12-25-47(39)57-48/h1-35H;1-31H
• InChIKey: BGKPFQOZCZAEDZ-UHFFFAOYSA-N
• XLogP: 28.54
• TPSA: 97.06 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1567.92
LogP ≤ 5	28.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole?

The IUPAC name of 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole (CID 157341243) is 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole.

What is the SMILES notation for 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole?

The canonical SMILES for 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8cc9sc%10ccccc%10c9cc87)ccc65)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc8sc9ccccc9c8cc76)ccc54)c3)n2)cc1.

What is the InChIKey of 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole?

The InChIKey is BGKPFQOZCZAEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S.C51H31N5S/c1-3-15-36(16-4-1)55-58-56(37-17-5-2-6-18-37)60-57(59-55)40-21-13-19-38(31-40)39-20-14-22-41(32-39)61-49-26-10-7-23-43(49)46-33-42(29-30-51(46)61)62-50-27-11-8-24-44(50)47-35-54-48(34-52(47)62)45-25-9-12-28-53(45)63-54;1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)34-18-13-19-35(28-34)55-43-23-10-7-20-37(43)40-29-36(26-27-45(40)55)56-44-24-11-8-21-38(44)41-31-48-42(30-46(41)56)39-22-9-12-25-47(39)57-48/h1-35H;1-31H.

What are the key properties of 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole?

11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 1567.92 g/mol, XLogP of 28.54, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 157341243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).