N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline

C52H35NO — CID 167323705

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc(-c4ccc5ccccc5c4)c3)c2)cc1
InChIInChI=1S/C52H35NO/c1-3-12-36(13-4-1)44-31-45(37-14-5-2-6-15-37)34-48(33-44)53(47-19-11-18-41(32-47)42-23-22-38-16-7-8-17-40(38)30-42)46-27-24-39(25-28-46)43-26-29-50-49-20-9-10-21-51(49)54-52(50)35-43/h1-35H
InChIKeyUDFSPJSPIXTRKU-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline

N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline (PubChem CID 167323705) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
PubChem CID167323705
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc(-c4ccc5ccccc5c4)c3)c2)cc1
InChIInChI=1S/C52H35NO/c1-3-12-36(13-4-1)44-31-45(37-14-5-2-6-15-37)34-48(33-44)53(47-19-11-18-41(32-47)42-23-22-38-16-7-8-17-40(38)30-42)46-27-24-39(25-28-46)43-26-29-50-49-20-9-10-21-51(49)54-52(50)35-43/h1-35H
InChIKeyUDFSPJSPIXTRKU-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 158904441
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121450043
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 166565962
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline (CID 167323705) is N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc(-c4ccc5ccccc5c4)c3)c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline?
The InChIKey is UDFSPJSPIXTRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-3-12-36(13-4-1)44-31-45(37-14-5-2-6-15-37)34-48(33-44)53(47-19-11-18-41(32-47)42-23-22-38-16-7-8-17-40(38)30-42)46-27-24-39(25-28-46)43-26-29-50-49-20-9-10-21-51(49)54-52(50)35-43/h1-35H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline?
N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline is sourced from PubChem (CID 167323705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).