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

C48H31N7O — CID 155050077

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

9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 155050077) has the molecular formula C48H31N7O and a molecular weight of 721.82 g/mol. Its IUPAC name is 9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 155050077
• Molecular Formula: C48H31N7O
• Molecular Weight: 721.82 g/mol
• Exact Mass: 721.26
• IUPAC Name: 9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccccc4-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)cc3)n2)cc1
• InChI: InChI=1S/C48H31N7O/c1-4-16-32(17-5-1)43-49-44(33-18-6-2-7-19-33)51-45(50-43)35-28-30-36(31-29-35)56-42-27-15-12-24-39(42)47-52-46(34-20-8-3-9-21-34)53-48(54-47)55-40-25-13-10-22-37(40)38-23-11-14-26-41(38)55/h1-31H
• InChIKey: ZWJLTDBMSZAVNU-UHFFFAOYSA-N
• XLogP: 11.28
• TPSA: 91.50 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.82
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 155050077) is 9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole.

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

The canonical SMILES for 9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccccc4-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)cc3)n2)cc1.

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

The InChIKey is ZWJLTDBMSZAVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N7O/c1-4-16-32(17-5-1)43-49-44(33-18-6-2-7-19-33)51-45(50-43)35-28-30-36(31-29-35)56-42-27-15-12-24-39(42)47-52-46(34-20-8-3-9-21-34)53-48(54-47)55-40-25-13-10-22-37(40)38-23-11-14-26-41(38)55/h1-31H.

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

9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 721.82 g/mol, XLogP of 11.28, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 155050077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).