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

C55H36N4 — CID 170658615

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

9-[2-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (PubChem CID 170658615) has the molecular formula C55H36N4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 9-[2-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
• PubChem CID: 170658615
• Molecular Formula: C55H36N4
• Molecular Weight: 752.92 g/mol
• Exact Mass: 752.29
• IUPAC Name: 9-[2-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5ccccc54)n3)cc2)cc1
• InChI: InChI=1S/C55H36N4/c1-3-13-37(14-4-1)40-23-28-42(29-24-40)53-56-54(43-30-25-41(26-31-43)45-32-27-39-17-7-8-18-44(39)35-45)58-55(57-53)49-34-33-46(38-15-5-2-6-16-38)36-52(49)59-50-21-11-9-19-47(50)48-20-10-12-22-51(48)59/h1-36H
• InChIKey: BKHNCGFZNOKOQE-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.92
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-[2-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole (CID 170658615) is 9-[2-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole.

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

The canonical SMILES for 9-[2-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4ccc(-c5ccccc5)cc4-n4c5ccccc5c5ccccc54)n3)cc2)cc1.

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

The InChIKey is BKHNCGFZNOKOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4/c1-3-13-37(14-4-1)40-23-28-42(29-24-40)53-56-54(43-30-25-41(26-31-43)45-32-27-39-17-7-8-18-44(39)35-45)58-55(57-53)49-34-33-46(38-15-5-2-6-16-38)36-52(49)59-50-21-11-9-19-47(50)48-20-10-12-22-51(48)59/h1-36H.

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

9-[2-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole has a molecular weight of 752.92 g/mol, XLogP of 14.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole is sourced from PubChem (CID 170658615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).