N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine

C64H44N2O — CID 167086684

About N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine

N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine (PubChem CID 167086684) has the molecular formula C64H44N2O and a molecular weight of 857.07 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
• PubChem CID: 167086684
• Molecular Formula: C64H44N2O
• Molecular Weight: 857.07 g/mol
• Exact Mass: 856.35
• IUPAC Name: N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
• SMILES: c1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5cccc(-c6ccccc6)c5)c5cccc6c5oc5ccccc56)c4)c3)c3ccc4cc(-c5ccccc5)ccc4c3)cc2)cc1
• InChI: InChI=1S/C64H44N2O/c1-4-16-45(17-5-1)48-34-37-55(38-35-48)65(59-39-36-53-40-52(32-33-54(53)44-59)47-20-8-3-9-21-47)56-25-13-23-50(42-56)51-24-14-27-58(43-51)66(57-26-12-22-49(41-57)46-18-6-2-7-19-46)62-30-15-29-61-60-28-10-11-31-63(60)67-64(61)62/h1-44H
• InChIKey: AVXDFEXQDKOFQD-UHFFFAOYSA-N
• XLogP: 18.35
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.07
LogP ≤ 5	18.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine?

The IUPAC name of N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine (CID 167086684) is N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine.

What is the SMILES notation for N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine?

The canonical SMILES for N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5cccc(-c6ccccc6)c5)c5cccc6c5oc5ccccc56)c4)c3)c3ccc4cc(-c5ccccc5)ccc4c3)cc2)cc1.

What is the InChIKey of N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine?

The InChIKey is AVXDFEXQDKOFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2O/c1-4-16-45(17-5-1)48-34-37-55(38-35-48)65(59-39-36-53-40-52(32-33-54(53)44-59)47-20-8-3-9-21-47)56-25-13-23-50(42-56)51-24-14-27-58(43-51)66(57-26-12-22-49(41-57)46-18-6-2-7-19-46)62-30-15-29-61-60-28-10-11-31-63(60)67-64(61)62/h1-44H.

What are the key properties of N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine?

N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine has a molecular weight of 857.07 g/mol, XLogP of 18.35, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 167086684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).