N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine

C56H37NO — CID 168771854

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)ccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C56H37NO/c1-3-14-41(15-4-1)50-35-36-53(56-54(50)52-24-12-23-51(55(52)58-56)42-16-5-2-6-17-42)57(46-31-27-39(28-32-46)45-26-25-38-13-7-8-19-44(38)37-45)47-33-29-43(30-34-47)49-22-11-20-40-18-9-10-21-48(40)49/h1-37H
InChIKeyYRAIQWZFJDAYBC-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine

N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine (PubChem CID 168771854) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine
PubChem CID168771854
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)ccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C56H37NO/c1-3-14-41(15-4-1)50-35-36-53(56-54(50)52-24-12-23-51(55(52)58-56)42-16-5-2-6-17-42)57(46-31-27-39(28-32-46)45-26-25-38-13-7-8-19-44(38)37-45)47-33-29-43(30-34-47)49-22-11-20-40-18-9-10-21-48(40)49/h1-37H
InChIKeyYRAIQWZFJDAYBC-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

N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
CID 167236501
N-(4-naphthalen-1-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,6-diphenyldibenzofuran-4-amine
CID 168772034
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049
N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 167086919
N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 168772002
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069338
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847972
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847874
1,9-dibromo-6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 158002248

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine (CID 168771854) is N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine is c1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)ccc(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine?
The InChIKey is YRAIQWZFJDAYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-14-41(15-4-1)50-35-36-53(56-54(50)52-24-12-23-51(55(52)58-56)42-16-5-2-6-17-42)57(46-31-27-39(28-32-46)45-26-25-38-13-7-8-19-44(38)37-45)47-33-29-43(30-34-47)49-22-11-20-40-18-9-10-21-48(40)49/h1-37H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine?
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-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 N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 168771854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).