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

C49H32N4 — CID 170658932

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

9-[2-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (PubChem CID 170658932) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 9-[2-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
• PubChem CID: 170658932
• Molecular Formula: C49H32N4
• Molecular Weight: 676.82 g/mol
• Exact Mass: 676.26
• IUPAC Name: 9-[2-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccccc4-c4ccccc4)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C49H32N4/c1-3-15-33(16-4-1)37-29-30-43(46(32-37)53-44-25-13-11-22-40(44)41-23-12-14-26-45(41)53)49-51-47(38-28-27-34-17-7-8-20-36(34)31-38)50-48(52-49)42-24-10-9-21-39(42)35-18-5-2-6-19-35/h1-32H
• InChIKey: QPIJPFZRQTXPHO-UHFFFAOYSA-N
• XLogP: 12.46
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.82
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-[2-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (CID 170658932) is 9-[2-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.

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

The canonical SMILES for 9-[2-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccccc4-c4ccccc4)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1.

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

The InChIKey is QPIJPFZRQTXPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-3-15-33(16-4-1)37-29-30-43(46(32-37)53-44-25-13-11-22-40(44)41-23-12-14-26-45(41)53)49-51-47(38-28-27-34-17-7-8-20-36(34)31-38)50-48(52-49)42-24-10-9-21-39(42)35-18-5-2-6-19-35/h1-32H.

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

9-[2-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole has a molecular weight of 676.82 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[4-naphthalen-2-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is sourced from PubChem (CID 170658932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).