2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline

C56H37NO — CID 167324734

IUPAC2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C56H37NO/c1-2-13-43-35-45(28-27-38(43)11-1)40-25-23-39(24-26-40)44-15-9-16-48(36-44)57(47-32-29-42(30-33-47)50-20-10-14-41-12-3-4-17-49(41)50)54-21-7-5-18-51(54)46-31-34-53-52-19-6-8-22-55(52)58-56(53)37-46/h1-37H
InChIKeyVUWKRNGPHXLVGY-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About 2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline

2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 167324734) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
PubChem CID167324734
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC Name2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C56H37NO/c1-2-13-43-35-45(28-27-38(43)11-1)40-25-23-39(24-26-40)44-15-9-16-48(36-44)57(47-32-29-42(30-33-47)50-20-10-14-41-12-3-4-17-49(41)50)54-21-7-5-18-51(54)46-31-34-53-52-19-6-8-22-55(52)58-56(53)37-46/h1-37H
InChIKeyVUWKRNGPHXLVGY-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

2-dibenzofuran-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324805
N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235123
2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324594
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-phenylaniline
CID 166565627
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-phenanthren-2-ylaniline
CID 176810690
N-(4-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810397
2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325244
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-phenanthren-3-ylaniline
CID 176810458
N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605759
N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086262
N-(4-dibenzofuran-3-ylphenyl)-2-dibenzothiophen-3-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167326309

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The IUPAC name of 2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline (CID 167324734) is 2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for 2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The canonical SMILES for 2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline is c1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of 2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline?
The InChIKey is VUWKRNGPHXLVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-2-13-43-35-45(28-27-38(43)11-1)40-25-23-39(24-26-40)44-15-9-16-48(36-44)57(47-32-29-42(30-33-47)50-20-10-14-41-12-3-4-17-49(41)50)54-21-7-5-18-51(54)46-31-34-53-52-19-6-8-22-55(52)58-56(53)37-46/h1-37H.
What are the key properties of 2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline?
2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline 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 2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167324734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).