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

C55H36N4 — CID 170658621

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

9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-phenylnaphthalen-2-yl]carbazole (PubChem CID 170658621) has the molecular formula C55H36N4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-phenylnaphthalen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-phenylnaphthalen-2-yl]carbazole
• PubChem CID: 170658621
• Molecular Formula: C55H36N4
• Molecular Weight: 752.92 g/mol
• Exact Mass: 752.29
• IUPAC Name: 9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-phenylnaphthalen-2-yl]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c5ccccc45)n3)c2)cc1
• InChI: InChI=1S/C55H36N4/c1-5-19-37(20-6-1)41-33-42(38-21-7-2-8-22-38)35-43(34-41)54-56-53(40-25-11-4-12-26-40)57-55(58-54)48-36-51(52(39-23-9-3-10-24-39)47-30-14-13-27-44(47)48)59-49-31-17-15-28-45(49)46-29-16-18-32-50(46)59/h1-36H
• InChIKey: QBOTXWZDABRWMK-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-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-phenylnaphthalen-2-yl]carbazole?

The IUPAC name of 9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-phenylnaphthalen-2-yl]carbazole (CID 170658621) is 9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-phenylnaphthalen-2-yl]carbazole.

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

The canonical SMILES for 9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-phenylnaphthalen-2-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6ccccc65)c(-c5ccccc5)c5ccccc45)n3)c2)cc1.

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

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

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

9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-phenylnaphthalen-2-yl]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-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-phenylnaphthalen-2-yl]carbazole is sourced from PubChem (CID 170658621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).