4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine

C56H37NO — CID 177069623

IUPAC4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4cccc(-c5cccc6ccccc56)c4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C56H37NO/c1-2-15-38(16-3-1)41-21-10-22-42(35-41)43-23-11-25-45(36-43)57(46-26-12-24-44(37-46)49-30-13-19-39-17-4-6-27-47(39)49)53-34-33-51(50-31-14-20-40-18-5-7-28-48(40)50)56-55(53)52-29-8-9-32-54(52)58-56/h1-37H
InChIKeyVUIXYKDIDYKLLU-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About 4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine

4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069623) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069623
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC Name4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4cccc(-c5cccc6ccccc56)c4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C56H37NO/c1-2-15-38(16-3-1)41-21-10-22-42(35-41)43-23-11-25-45(36-43)57(46-26-12-24-44(37-46)49-30-13-19-39-17-4-6-27-47(39)49)53-34-33-51(50-31-14-20-40-18-5-7-28-48(40)50)56-55(53)52-29-8-9-32-54(52)58-56/h1-37H
InChIKeyVUIXYKDIDYKLLU-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069895
4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069719
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168847695
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848045
4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069338
4-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069748
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
4-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069608
4-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069235
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine
CID 176820935
4-naphthalen-2-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069783
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847972

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069623) is 4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc(-c3cccc(N(c4cccc(-c5cccc6ccccc56)c4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)c3)c2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is VUIXYKDIDYKLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-2-15-38(16-3-1)41-21-10-22-42(35-41)43-23-11-25-45(36-43)57(46-26-12-24-44(37-46)49-30-13-19-39-17-4-6-27-47(39)49)53-34-33-51(50-31-14-20-40-18-5-7-28-48(40)50)56-55(53)52-29-8-9-32-54(52)58-56/h1-37H.
What are the key properties of 4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).