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

C49H35NO — CID 170399246

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

N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 170399246) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine
• PubChem CID: 170399246
• Molecular Formula: C49H35NO
• Molecular Weight: 653.83 g/mol
• Exact Mass: 653.27
• IUPAC Name: N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine
• SMILES: Cc1c(-c2cccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)c2)oc2ccccc12
• InChI: InChI=1S/C49H35NO/c1-34-45-18-8-10-21-48(45)51-49(34)42-17-11-16-40(32-42)38-26-29-43(30-27-38)50(44-31-28-36-14-5-6-15-41(36)33-44)47-20-9-7-19-46(47)39-24-22-37(23-25-39)35-12-3-2-4-13-35/h2-33H,1H3
• InChIKey: KILLARCEKIQJGC-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.83
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine (CID 170399246) is N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine.

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

The canonical SMILES for N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine is Cc1c(-c2cccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)c2)oc2ccccc12.

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

The InChIKey is KILLARCEKIQJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-34-45-18-8-10-21-48(45)51-49(34)42-17-11-16-40(32-42)38-26-29-43(30-27-38)50(44-31-28-36-14-5-6-15-41(36)33-44)47-20-9-7-19-46(47)39-24-22-37(23-25-39)35-12-3-2-4-13-35/h2-33H,1H3.

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

N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine has a molecular weight of 653.83 g/mol, XLogP of 14.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170399246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).