11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole

C47H30N4 — CID 167032232

About 11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole

11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole (PubChem CID 167032232) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole.

Molecular Properties

• Compound Name: 11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
• PubChem CID: 167032232
• Molecular Formula: C47H30N4
• Molecular Weight: 650.79 g/mol
• Exact Mass: 650.25
• IUPAC Name: 11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
• InChI: InChI=1S/C47H30N4/c1-2-12-35(13-3-1)45-48-46(50-47(49-45)38-23-20-31-10-4-5-14-37(31)30-38)36-21-18-32(19-22-36)33-24-27-39(28-25-33)51-43-17-9-8-16-41(43)42-29-26-34-11-6-7-15-40(34)44(42)51/h1-30H
• InChIKey: HESVDJQRMNXDPO-UHFFFAOYSA-N
• XLogP: 11.94
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.79
LogP ≤ 5	11.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole?

The IUPAC name of 11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole (CID 167032232) is 11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole.

What is the SMILES notation for 11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole?

The canonical SMILES for 11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.

What is the InChIKey of 11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole?

The InChIKey is HESVDJQRMNXDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-2-12-35(13-3-1)45-48-46(50-47(49-45)38-23-20-31-10-4-5-14-37(31)30-38)36-21-18-32(19-22-36)33-24-27-39(28-25-33)51-43-17-9-8-16-41(43)42-29-26-34-11-6-7-15-40(34)44(42)51/h1-30H.

What are the key properties of 11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole?

11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole has a molecular weight of 650.79 g/mol, XLogP of 11.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole is sourced from PubChem (CID 167032232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).