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

C70H57NO — CID 170301769

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

N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170301769) has the molecular formula C70H57NO and a molecular weight of 928.23 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
• PubChem CID: 170301769
• Molecular Formula: C70H57NO
• Molecular Weight: 928.23 g/mol
• Exact Mass: 927.44
• IUPAC Name: N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C70H57NO/c1-69(2,3)51-43-50(44-52(45-51)70(4,5)6)56-31-17-24-49-26-19-34-60(67(49)56)58-28-11-14-36-63(58)71(53-41-39-47(40-42-53)55-32-20-38-65-68(55)61-29-12-15-37-64(61)72-65)62-35-13-10-27-57(62)59-33-18-25-48-23-16-30-54(66(48)59)46-21-8-7-9-22-46/h7-45H,1-6H3
• InChIKey: ACNBWJWDNFVOEM-UHFFFAOYSA-N
• XLogP: 20.29
• 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	928.23
LogP ≤ 5	20.29
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]-2-(8-phenylnaphthalen-1-yl)aniline?

The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170301769) is N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

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

The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc4-c4cccc5cccc(-c6ccccc6)c45)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]-2-(8-phenylnaphthalen-1-yl)aniline?

The InChIKey is ACNBWJWDNFVOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H57NO/c1-69(2,3)51-43-50(44-52(45-51)70(4,5)6)56-31-17-24-49-26-19-34-60(67(49)56)58-28-11-14-36-63(58)71(53-41-39-47(40-42-53)55-32-20-38-65-68(55)61-29-12-15-37-64(61)72-65)62-35-13-10-27-57(62)59-33-18-25-48-23-16-30-54(66(48)59)46-21-8-7-9-22-46/h7-45H,1-6H3.

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

N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 928.23 g/mol, XLogP of 20.29, 8 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]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170301769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).