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

C47H30N4 — CID 167031924

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

9-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole (PubChem CID 167031924) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 9-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
• PubChem CID: 167031924
• Molecular Formula: C47H30N4
• Molecular Weight: 650.79 g/mol
• Exact Mass: 650.25
• IUPAC Name: 9-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
• SMILES: c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5-n5c6ccccc6c6ccccc65)n4)ccc3c2)cc1
• InChI: InChI=1S/C47H30N4/c1-3-13-31(14-4-1)34-23-24-36-30-37(26-25-35(36)29-34)46-48-45(33-16-5-2-6-17-33)49-47(50-46)41-28-27-32-15-7-8-18-38(32)44(41)51-42-21-11-9-19-39(42)40-20-10-12-22-43(40)51/h1-30H
• InChIKey: DOWZVYGGYDXNMQ-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 9-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole?

The IUPAC name of 9-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole (CID 167031924) is 9-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole.

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

The canonical SMILES for 9-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5-n5c6ccccc6c6ccccc65)n4)ccc3c2)cc1.

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

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

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

9-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]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 9-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole is sourced from PubChem (CID 167031924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).