N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine

C60H43NO — CID 138488794

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine

N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine (PubChem CID 138488794) has the molecular formula C60H43NO and a molecular weight of 794.01 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine
• PubChem CID: 138488794
• Molecular Formula: C60H43NO
• Molecular Weight: 794.01 g/mol
• Exact Mass: 793.33
• IUPAC Name: N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine
• SMILES: C=C(Cc1ccccc1)c1c(-c2cc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc5ccccc45)cc3)ccc2C)ccc2ccccc12
• InChI: InChI=1S/C60H43NO/c1-40-23-24-47(38-55(40)54-35-29-46-16-7-9-19-52(46)60(54)41(2)37-42-13-4-3-5-14-42)43-25-31-49(32-26-43)61(57-21-12-17-45-15-6-8-18-51(45)57)50-33-27-44(28-34-50)48-30-36-59-56(39-48)53-20-10-11-22-58(53)62-59/h3-36,38-39H,2,37H2,1H3
• InChIKey: KODPXCADDDVLFW-UHFFFAOYSA-N
• XLogP: 16.93
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.01
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine?

The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine (CID 138488794) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine is C=C(Cc1ccccc1)c1c(-c2cc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc5ccccc45)cc3)ccc2C)ccc2ccccc12.

What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine?

The InChIKey is KODPXCADDDVLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NO/c1-40-23-24-47(38-55(40)54-35-29-46-16-7-9-19-52(46)60(54)41(2)37-42-13-4-3-5-14-42)43-25-31-49(32-26-43)61(57-21-12-17-45-15-6-8-18-51(45)57)50-33-27-44(28-34-50)48-30-36-59-56(39-48)53-20-10-11-22-58(53)62-59/h3-36,38-39H,2,37H2,1H3.

What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine?

N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine has a molecular weight of 794.01 g/mol, XLogP of 16.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-methyl-3-[1-(3-phenylprop-1-en-2-yl)naphthalen-2-yl]phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 138488794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).