N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine

C61H43NO — CID 170401567

About N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine

N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 170401567) has the molecular formula C61H43NO and a molecular weight of 806.02 g/mol. Its IUPAC name is N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
• PubChem CID: 170401567
• Molecular Formula: C61H43NO
• Molecular Weight: 806.02 g/mol
• Exact Mass: 805.33
• IUPAC Name: N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
• SMILES: Cc1c(-c2cccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6-c6ccccc6-c6ccccc6)cc5)c5cccc6ccccc56)cc4)cc3)c2)oc2ccccc12
• InChI: InChI=1S/C61H43NO/c1-42-53-21-11-12-28-60(53)63-61(42)50-20-13-19-49(41-50)45-31-29-43(30-32-45)44-33-37-51(38-34-44)62(59-27-14-18-47-17-5-6-24-56(47)59)52-39-35-48(36-40-52)55-23-8-10-26-58(55)57-25-9-7-22-54(57)46-15-3-2-4-16-46/h2-41H,1H3
• InChIKey: OZKNIFBBVTWNCC-UHFFFAOYSA-N
• XLogP: 17.37
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.02
LogP ≤ 5	17.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?

The IUPAC name of N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine (CID 170401567) is N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine is Cc1c(-c2cccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6-c6ccccc6-c6ccccc6)cc5)c5cccc6ccccc56)cc4)cc3)c2)oc2ccccc12.

What is the InChIKey of N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?

The InChIKey is OZKNIFBBVTWNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NO/c1-42-53-21-11-12-28-60(53)63-61(42)50-20-13-19-49(41-50)45-31-29-43(30-32-45)44-33-37-51(38-34-44)62(59-27-14-18-47-17-5-6-24-56(47)59)52-39-35-48(36-40-52)55-23-8-10-26-58(55)57-25-9-7-22-54(57)46-15-3-2-4-16-46/h2-41H,1H3.

What are the key properties of N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine?

N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 806.02 g/mol, XLogP of 17.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 170401567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).