N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine

C81H59NO — CID 168802034

About N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine

N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine (PubChem CID 168802034) has the molecular formula C81H59NO and a molecular weight of 1062.37 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine.

Molecular Properties

• Compound Name: N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
• PubChem CID: 168802034
• Molecular Formula: C81H59NO
• Molecular Weight: 1062.37 g/mol
• Exact Mass: 1061.46
• IUPAC Name: N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
• SMILES: CC(C)(C)c1ccc(-c2cc(-c3ccccc3)c(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3ccccc3-c3cccc4oc5ccccc5c34)c(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C81H59NO/c1-80(2,3)59-46-43-54(44-47-59)58-51-69(55-25-8-4-9-26-55)79(70(52-58)56-27-10-5-11-28-56)82(62-48-49-73-71(53-62)65-36-20-22-40-72(65)81(73,60-30-12-6-13-31-60)61-32-14-7-15-33-61)74-50-45-57-29-16-17-34-63(57)77(74)66-37-19-18-35-64(66)67-39-24-42-76-78(67)68-38-21-23-41-75(68)83-76/h4-53H,1-3H3
• InChIKey: PZDVZKVCHOMOEB-UHFFFAOYSA-N
• XLogP: 22.20
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1062.37
LogP ≤ 5	22.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?

The IUPAC name of N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine (CID 168802034) is N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine.

What is the SMILES notation for N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?

The canonical SMILES for N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine is CC(C)(C)c1ccc(-c2cc(-c3ccccc3)c(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3ccccc3-c3cccc4oc5ccccc5c34)c(-c3ccccc3)c2)cc1.

What is the InChIKey of N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?

The InChIKey is PZDVZKVCHOMOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H59NO/c1-80(2,3)59-46-43-54(44-47-59)58-51-69(55-25-8-4-9-26-55)79(70(52-58)56-27-10-5-11-28-56)82(62-48-49-73-71(53-62)65-36-20-22-40-72(65)81(73,60-30-12-6-13-31-60)61-32-14-7-15-33-61)74-50-45-57-29-16-17-34-63(57)77(74)66-37-19-18-35-64(66)67-39-24-42-76-78(67)68-38-21-23-41-75(68)83-76/h4-53H,1-3H3.

What are the key properties of N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?

N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine has a molecular weight of 1062.37 g/mol, XLogP of 22.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 168802034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).