3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline

C54H38N2O — CID 167086965

IUPAC3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C54H38N2O/c1-4-14-39(15-5-1)40-26-31-47(32-27-40)56(48-33-28-41(29-34-48)44-30-35-52-51-24-10-11-25-53(51)57-54(52)38-44)50-23-13-17-43(37-50)42-16-12-22-49(36-42)55(45-18-6-2-7-19-45)46-20-8-3-9-21-46/h1-38H
InChIKeyKNUXQUZYVJXRCG-UHFFFAOYSA-N
MW730.91 g/mol
LogP15.53
Rot. Bonds9

About 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline

3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline (PubChem CID 167086965) has the molecular formula C54H38N2O and a molecular weight of 730.91 g/mol. Its IUPAC name is 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
PubChem CID167086965
Molecular FormulaC54H38N2O
Molecular Weight730.91 g/mol
Exact Mass730.30
IUPAC Name3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C54H38N2O/c1-4-14-39(15-5-1)40-26-31-47(32-27-40)56(48-33-28-41(29-34-48)44-30-35-52-51-24-10-11-25-53(51)57-54(52)38-44)50-23-13-17-43(37-50)42-16-12-22-49(36-42)55(45-18-6-2-7-19-45)46-20-8-3-9-21-46/h1-38H
InChIKeyKNUXQUZYVJXRCG-UHFFFAOYSA-N
XLogP15.53
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.91
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
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-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922

Frequently Asked Questions

What is the IUPAC name of 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline?
The IUPAC name of 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline (CID 167086965) is 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c3)cc2)cc1.
What is the InChIKey of 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline?
The InChIKey is KNUXQUZYVJXRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2O/c1-4-14-39(15-5-1)40-26-31-47(32-27-40)56(48-33-28-41(29-34-48)44-30-35-52-51-24-10-11-25-53(51)57-54(52)38-44)50-23-13-17-43(37-50)42-16-12-22-49(36-42)55(45-18-6-2-7-19-45)46-20-8-3-9-21-46/h1-38H.
What are the key properties of 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline?
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline has a molecular weight of 730.91 g/mol, XLogP of 15.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 167086965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).