9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole

C55H36N4 — CID 170659249

About 9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole

9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 170659249) has the molecular formula C55H36N4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 170659249
• Molecular Formula: C55H36N4
• Molecular Weight: 752.92 g/mol
• Exact Mass: 752.29
• IUPAC Name: 9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccc(-c7ccccc7)cc6c5)n4)cc3-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C55H36N4/c1-4-15-37(16-5-1)41-21-14-22-43(33-41)47-32-31-45(36-52(47)59-50-25-12-10-23-48(50)49-24-11-13-26-51(49)59)55-57-53(40-19-8-3-9-20-40)56-54(58-55)44-30-28-39-27-29-42(34-46(39)35-44)38-17-6-2-7-18-38/h1-36H
• InChIKey: ROZONVIOIBTDBE-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-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 170659249) is 9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccc(-c7ccccc7)cc6c5)n4)cc3-n3c4ccccc4c4ccccc43)c2)cc1.

What is the InChIKey of 9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?

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

What are the key properties of 9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole?

9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]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-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 170659249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).