9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole

C56H38N8 — CID 170367088

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole (PubChem CID 170367088) has the molecular formula C56H38N8 and a molecular weight of 822.98 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole.

Molecular Properties

• Compound Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole
• PubChem CID: 170367088
• Molecular Formula: C56H38N8
• Molecular Weight: 822.98 g/mol
• Exact Mass: 822.32
• IUPAC Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole
• SMILES: Cc1ccc2c(c1)c1c(-c3cccc4c3c3cc(C)ccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C56H38N8/c1-35-29-31-45-43(33-35)49-41(25-15-27-47(49)63(45)55-59-51(37-17-7-3-8-18-37)57-52(60-55)38-19-9-4-10-20-38)42-26-16-28-48-50(42)44-34-36(2)30-32-46(44)64(48)56-61-53(39-21-11-5-12-22-39)58-54(62-56)40-23-13-6-14-24-40/h3-34H,1-2H3
• InChIKey: PBCOYCITHABPKS-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 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole?

The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole (CID 170367088) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole.

What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole?

The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole is Cc1ccc2c(c1)c1c(-c3cccc4c3c3cc(C)ccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole?

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

What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole?

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole 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 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methylcarbazol-4-yl]-3-methylcarbazole is sourced from PubChem (CID 170367088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).