3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline

C42H25F4NO — CID 171750067

IUPAC3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline
SMILESFc1cc(F)cc(-c2cccc(N(c3cccc(-c4cc(F)cc(F)c4)c3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c2)c1
InChIInChI=1S/C42H25F4NO/c43-32-16-30(17-33(44)24-32)27-7-4-10-37(21-27)47(38-11-5-8-28(22-38)31-18-34(45)25-35(46)19-31)36-9-3-6-26(20-36)29-14-15-42-40(23-29)39-12-1-2-13-41(39)48-42/h1-25H
InChIKeyIWGXNBWORWYMEY-UHFFFAOYSA-N
MW635.66 g/mol
LogP12.61
Rot. Bonds6

About 3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline

3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline (PubChem CID 171750067) has the molecular formula C42H25F4NO and a molecular weight of 635.66 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline
PubChem CID171750067
Molecular FormulaC42H25F4NO
Molecular Weight635.66 g/mol
Exact Mass635.19
IUPAC Name3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline
SMILESFc1cc(F)cc(-c2cccc(N(c3cccc(-c4cc(F)cc(F)c4)c3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c2)c1
InChIInChI=1S/C42H25F4NO/c43-32-16-30(17-33(44)24-32)27-7-4-10-37(21-27)47(38-11-5-8-28(22-38)31-18-34(45)25-35(46)19-31)36-9-3-6-26(20-36)29-14-15-42-40(23-29)39-12-1-2-13-41(39)48-42/h1-25H
InChIKeyIWGXNBWORWYMEY-UHFFFAOYSA-N
XLogP12.61
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.66
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
N,N-bis(4-dibenzofuran-2-ylphenyl)-3-triphenylen-2-ylaniline
CID 118214693
3,5-di(dibenzofuran-2-yl)-N,N-diphenylaniline
CID 121449955
2-[4-[4-(3-fluorophenyl)phenyl]phenyl]dibenzofuran
CID 171056558
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449954
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline?
The IUPAC name of 3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline (CID 171750067) is 3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline.
What is the SMILES notation for 3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline?
The canonical SMILES for 3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline is Fc1cc(F)cc(-c2cccc(N(c3cccc(-c4cc(F)cc(F)c4)c3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c2)c1.
What is the InChIKey of 3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline?
The InChIKey is IWGXNBWORWYMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25F4NO/c43-32-16-30(17-33(44)24-32)27-7-4-10-37(21-27)47(38-11-5-8-28(22-38)31-18-34(45)25-35(46)19-31)36-9-3-6-26(20-36)29-14-15-42-40(23-29)39-12-1-2-13-41(39)48-42/h1-25H.
What are the key properties of 3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline?
3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline has a molecular weight of 635.66 g/mol, XLogP of 12.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-N,N-bis[3-(3,5-difluorophenyl)phenyl]aniline is sourced from PubChem (CID 171750067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).