2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline

C48H33NO — CID 170665632

IUPAC2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H33NO/c1-4-14-34(15-5-1)36-26-29-40(30-27-36)49(41-21-12-20-38(32-41)35-16-6-2-7-17-35)45-24-13-23-42(37-18-8-3-9-19-37)48(45)39-28-31-44-43-22-10-11-25-46(43)50-47(44)33-39/h1-33H
InChIKeyZIFGUKOFTKFVBZ-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

About 2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline

2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 170665632) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID170665632
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC Name2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C48H33NO/c1-4-14-34(15-5-1)36-26-29-40(30-27-36)49(41-21-12-20-38(32-41)35-16-6-2-7-17-35)45-24-13-23-42(37-18-8-3-9-19-37)48(45)39-28-31-44-43-22-10-11-25-46(43)50-47(44)33-39/h1-33H
InChIKeyZIFGUKOFTKFVBZ-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170666163
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293276
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274744
N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293247
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991
4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(2-phenylphenyl)aniline;4-dibenzofuran-3-yl-3,5-diphenyl-N,N-bis(3-phenylphenyl)aniline;N-(4-dibenzofuran-3-yl-3,5-diphenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 160765830

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline (CID 170665632) is 2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3-c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is ZIFGUKOFTKFVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-4-14-34(15-5-1)36-26-29-40(30-27-36)49(41-21-12-20-38(32-41)35-16-6-2-7-17-35)45-24-13-23-42(37-18-8-3-9-19-37)48(45)39-28-31-44-43-22-10-11-25-46(43)50-47(44)33-39/h1-33H.
What are the key properties of 2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 639.80 g/mol, XLogP of 13.72, 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-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170665632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).