3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde

C23H17NO2 — CID 151991885

IUPAC3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde
SMILESO=Cc1occc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H17NO2/c25-17-23-22(15-16-26-23)18-11-13-21(14-12-18)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17H
InChIKeyUEVSUJXNFSITJP-UHFFFAOYSA-N
MW339.39 g/mol
LogP6.23
Rot. Bonds5

About 3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde

3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde (PubChem CID 151991885) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde
PubChem CID151991885
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde
SMILESO=Cc1occc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H17NO2/c25-17-23-22(15-16-26-23)18-11-13-21(14-12-18)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17H
InChIKeyUEVSUJXNFSITJP-UHFFFAOYSA-N
XLogP6.23
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279

Frequently Asked Questions

What is the IUPAC name of 3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde?
The IUPAC name of 3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde (CID 151991885) is 3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde is O=Cc1occc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde?
The InChIKey is UEVSUJXNFSITJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c25-17-23-22(15-16-26-23)18-11-13-21(14-12-18)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17H.
What are the key properties of 3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde?
3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde has a molecular weight of 339.39 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 151991885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).