N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C70H59NO — CID 170302011

About N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170302011) has the molecular formula C70H59NO and a molecular weight of 930.25 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
• PubChem CID: 170302011
• Molecular Formula: C70H59NO
• Molecular Weight: 930.25 g/mol
• Exact Mass: 929.46
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
• SMILES: CC(C)(C)c1cc(C2CC=Cc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)c32)cc(C(C)(C)C)c1
• InChI: InChI=1S/C70H59NO/c1-69(2,3)51-43-50(44-52(45-51)70(4,5)6)55-31-17-24-49-26-19-34-61(67(49)55)58-28-11-14-37-64(58)71(53-41-39-47(40-42-53)56-32-20-35-62-59-29-12-15-38-65(59)72-68(56)62)63-36-13-10-27-57(63)60-33-18-25-48-23-16-30-54(66(48)60)46-21-8-7-9-22-46/h7-30,32-45,55H,31H2,1-6H3
• InChIKey: DZTAWQUMICKOMC-UHFFFAOYSA-N
• XLogP: 20.02
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.25
LogP ≤ 5	20.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170302011) is N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC(C)(C)c1cc(C2CC=Cc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)c32)cc(C(C)(C)C)c1.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

The InChIKey is DZTAWQUMICKOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H59NO/c1-69(2,3)51-43-50(44-52(45-51)70(4,5)6)55-31-17-24-49-26-19-34-61(67(49)55)58-28-11-14-37-64(58)71(53-41-39-47(40-42-53)56-32-20-35-62-59-29-12-15-38-65(59)72-68(56)62)63-36-13-10-27-57(63)60-33-18-25-48-23-16-30-54(66(48)60)46-21-8-7-9-22-46/h7-30,32-45,55H,31H2,1-6H3.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?

N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 930.25 g/mol, XLogP of 20.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)-7,8-dihydronaphthalen-1-yl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170302011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).