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

C56H37NO — CID 167324594

IUPAC2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccccc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C56H37NO/c1-2-14-43-36-45(31-28-38(43)12-1)44-16-9-17-47(37-44)57(53-23-7-5-19-50(53)51-22-11-25-55-56(51)52-20-6-8-24-54(52)58-55)46-34-32-40(33-35-46)39-26-29-42(30-27-39)49-21-10-15-41-13-3-4-18-48(41)49/h1-37H
InChIKeyFIJZJCBKCZRVPS-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

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

2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (PubChem CID 167324594) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
PubChem CID167324594
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC Name2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccccc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C56H37NO/c1-2-14-43-36-45(31-28-38(43)12-1)44-16-9-17-47(37-44)57(53-23-7-5-19-50(53)51-22-11-25-55-56(51)52-20-6-8-24-54(52)58-55)46-34-32-40(33-35-46)39-26-29-42(30-27-39)49-21-10-15-41-13-3-4-18-48(41)49/h1-37H
InChIKeyFIJZJCBKCZRVPS-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-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086262
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-(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-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324734
N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605759
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325714
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-(4-naphthalen-1-ylphenyl)aniline
CID 176810163
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330822
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenanthren-2-ylphenyl)dibenzofuran-1-amine
CID 176810349
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 167324150

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The IUPAC name of 2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (CID 167324594) is 2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.
What is the SMILES notation for 2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The canonical SMILES for 2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccccc2-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of 2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
The InChIKey is FIJZJCBKCZRVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-2-14-43-36-45(31-28-38(43)12-1)44-16-9-17-47(37-44)57(53-23-7-5-19-50(53)51-22-11-25-55-56(51)52-20-6-8-24-54(52)58-55)46-34-32-40(33-35-46)39-26-29-42(30-27-39)49-21-10-15-41-13-3-4-18-48(41)49/h1-37H.
What are the key properties of 2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline?
2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-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-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167324594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).