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

C58H49NS — CID 170302037

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

N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine (PubChem CID 170302037) has the molecular formula C58H49NS and a molecular weight of 792.10 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
• PubChem CID: 170302037
• Molecular Formula: C58H49NS
• Molecular Weight: 792.10 g/mol
• Exact Mass: 791.36
• IUPAC Name: N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4-c4cccc5c4sc4ccccc45)c4cccc5ccccc45)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C58H49NS/c1-57(2,3)41-35-40(36-42(37-41)58(4,5)6)44-27-15-21-39-22-16-28-48(55(39)44)45-24-9-12-31-52(45)59(51-33-17-20-38-19-7-8-23-43(38)51)53-32-13-10-25-46(53)49-29-18-30-50-47-26-11-14-34-54(47)60-56(49)50/h7-37H,1-6H3
• InChIKey: DEAVMLAEWCHQPA-UHFFFAOYSA-N
• XLogP: 17.43
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.10
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine (CID 170302037) is N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine.

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

The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4-c4cccc5c4sc4ccccc45)c4cccc5ccccc45)c23)cc(C(C)(C)C)c1.

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

The InChIKey is DEAVMLAEWCHQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H49NS/c1-57(2,3)41-35-40(36-42(37-41)58(4,5)6)44-27-15-21-39-22-16-28-48(55(39)44)45-24-9-12-31-52(45)59(51-33-17-20-38-19-7-8-23-43(38)51)53-32-13-10-25-46(53)49-29-18-30-50-47-26-11-14-34-54(47)60-56(49)50/h7-37H,1-6H3.

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

N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine has a molecular weight of 792.10 g/mol, XLogP of 17.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-dibenzothiophen-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 170302037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).