3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole

C56H38N8 — CID 155232297

About 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole

3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole (PubChem CID 155232297) has the molecular formula C56H38N8 and a molecular weight of 822.98 g/mol. Its IUPAC name is 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole
• PubChem CID: 155232297
• Molecular Formula: C56H38N8
• Molecular Weight: 822.98 g/mol
• Exact Mass: 822.32
• IUPAC Name: 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole
• SMILES: Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1
• InChI: InChI=1S/C56H38N8/c1-35-57-36(2)59-55(58-35)41-28-31-51-46(34-41)44-23-13-15-25-49(44)64(51)52-30-27-40(39-26-29-50-45(32-39)43-22-12-14-24-48(43)63(50)42-20-10-5-11-21-42)33-47(52)56-61-53(37-16-6-3-7-17-37)60-54(62-56)38-18-8-4-9-19-38/h3-34H,1-2H3
• InChIKey: MJAYFLYUDOFPIJ-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.98
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole?

The IUPAC name of 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole (CID 155232297) is 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole.

What is the SMILES notation for 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole?

The canonical SMILES for 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole is Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)n1.

What is the InChIKey of 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole?

The InChIKey is MJAYFLYUDOFPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N8/c1-35-57-36(2)59-55(58-35)41-28-31-51-46(34-41)44-23-13-15-25-49(44)64(51)52-30-27-40(39-26-29-50-45(32-39)43-22-12-14-24-48(43)63(50)42-20-10-5-11-21-42)33-47(52)56-61-53(37-16-6-3-7-17-37)60-54(62-56)38-18-8-4-9-19-38/h3-34H,1-2H3.

What are the key properties of 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole?

3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole has a molecular weight of 822.98 g/mol, XLogP of 13.20, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 155232297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).