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

C54H47NO — CID 170296789

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

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine (PubChem CID 170296789) has the molecular formula C54H47NO and a molecular weight of 725.98 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
• PubChem CID: 170296789
• Molecular Formula: C54H47NO
• Molecular Weight: 725.98 g/mol
• Exact Mass: 725.37
• IUPAC Name: N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4ccccc4)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C54H47NO/c1-53(2,3)39-32-38(33-40(34-39)54(4,5)6)43-25-16-20-37-21-17-26-47(52(37)43)44-23-11-14-28-49(44)55(48-27-13-10-22-42(48)36-18-8-7-9-19-36)41-30-31-46-45-24-12-15-29-50(45)56-51(46)35-41/h7-35H,1-6H3
• InChIKey: BYKLEHDKASZGBZ-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.98
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine (CID 170296789) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine.

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

The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4ccccc4)c23)cc(C(C)(C)C)c1.

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

The InChIKey is BYKLEHDKASZGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47NO/c1-53(2,3)39-32-38(33-40(34-39)54(4,5)6)43-25-16-20-37-21-17-26-47(52(37)43)44-23-11-14-28-49(44)55(48-27-13-10-22-42(48)36-18-8-7-9-19-36)41-30-31-46-45-24-12-15-29-50(45)56-51(46)35-41/h7-35H,1-6H3.

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

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 725.98 g/mol, XLogP of 15.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 170296789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).