2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole

C68H43BrN10S2 — CID 159027944

About 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole (PubChem CID 159027944) has the molecular formula C68H43BrN10S2 and a molecular weight of 1144.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole.

Molecular Properties

• Compound Name: 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole
• PubChem CID: 159027944
• Molecular Formula: C68H43BrN10S2
• Molecular Weight: 1144.20 g/mol
• Exact Mass: 1142.23
• IUPAC Name: 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole
• SMILES: Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6ncsc6c54)c3)n2)cc1.c1ccc2c(c1)[nH]c1c2ccc2ncsc21
• InChI: InChI=1S/C34H21N5S.C21H14BrN3.C13H8N2S/c1-3-10-22(11-4-1)32-36-33(23-12-5-2-6-13-23)38-34(37-32)24-14-9-15-25(20-24)39-29-17-8-7-16-26(29)27-18-19-28-31(30(27)39)40-21-35-28;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16;1-2-4-10-8(3-1)9-5-6-11-13(12(9)15-10)16-7-14-11/h1-21H;1-14H;1-7,15H
• InChIKey: JUMYGKLDTRXHRR-UHFFFAOYSA-N
• XLogP: 18.15
• TPSA: 123.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1144.20
LogP ≤ 5	18.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole?

The IUPAC name of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole (CID 159027944) is 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole.

What is the SMILES notation for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole?

The canonical SMILES for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole is Brc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6ncsc6c54)c3)n2)cc1.c1ccc2c(c1)[nH]c1c2ccc2ncsc21.

What is the InChIKey of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole?

The InChIKey is JUMYGKLDTRXHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N5S.C21H14BrN3.C13H8N2S/c1-3-10-22(11-4-1)32-36-33(23-12-5-2-6-13-23)38-34(37-32)24-14-9-15-25(20-24)39-29-17-8-7-16-26(29)27-18-19-28-31(30(27)39)40-21-35-28;22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16;1-2-4-10-8(3-1)9-5-6-11-13(12(9)15-10)16-7-14-11/h1-21H;1-14H;1-7,15H.

What are the key properties of 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole?

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole has a molecular weight of 1144.20 g/mol, XLogP of 18.15, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole is sourced from PubChem (CID 159027944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).