N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine

C58H49NO — CID 170301767

About N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine

N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine (PubChem CID 170301767) has the molecular formula C58H49NO and a molecular weight of 776.04 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
• PubChem CID: 170301767
• Molecular Formula: C58H49NO
• Molecular Weight: 776.04 g/mol
• Exact Mass: 775.38
• IUPAC Name: N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4cccc5ccccc45)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C58H49NO/c1-57(2,3)42-35-41(36-43(37-42)58(4,5)6)47-24-13-19-40-20-14-26-49(55(40)47)48-22-9-11-27-52(48)59(51-28-15-18-38-17-7-8-21-45(38)51)44-33-31-39(32-34-44)46-25-16-30-54-56(46)50-23-10-12-29-53(50)60-54/h7-37H,1-6H3
• InChIKey: LMTSMHWGGZITLU-UHFFFAOYSA-N
• XLogP: 16.96
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.04
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine?

The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine (CID 170301767) is N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4cccc5ccccc45)c23)cc(C(C)(C)C)c1.

What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine?

The InChIKey is LMTSMHWGGZITLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H49NO/c1-57(2,3)42-35-41(36-43(37-42)58(4,5)6)47-24-13-19-40-20-14-26-49(55(40)47)48-22-9-11-27-52(48)59(51-28-15-18-38-17-7-8-21-45(38)51)44-33-31-39(32-34-44)46-25-16-30-54-56(46)50-23-10-12-29-53(50)60-54/h7-37H,1-6H3.

What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine?

N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine has a molecular weight of 776.04 g/mol, XLogP of 16.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 170301767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).