4-[dibenzofuran-1-yl(methyl)amino]benzonitrile

C20H14N2O — CID 170263045

IUPAC4-[dibenzofuran-1-yl(methyl)amino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1cccc2oc3ccccc3c12
InChIInChI=1S/C20H14N2O/c1-22(15-11-9-14(13-21)10-12-15)17-6-4-8-19-20(17)16-5-2-3-7-18(16)23-19/h2-12H,1H3
InChIKeyXOUSBOWFRWBIQB-UHFFFAOYSA-N
MW298.35 g/mol
LogP5.23
Rot. Bonds2

About 4-[dibenzofuran-1-yl(methyl)amino]benzonitrile

4-[dibenzofuran-1-yl(methyl)amino]benzonitrile (PubChem CID 170263045) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[dibenzofuran-1-yl(methyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[dibenzofuran-1-yl(methyl)amino]benzonitrile
PubChem CID170263045
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name4-[dibenzofuran-1-yl(methyl)amino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1cccc2oc3ccccc3c12
InChIInChI=1S/C20H14N2O/c1-22(15-11-9-14(13-21)10-12-15)17-6-4-8-19-20(17)16-5-2-3-7-18(16)23-19/h2-12H,1H3
InChIKeyXOUSBOWFRWBIQB-UHFFFAOYSA-N
XLogP5.23
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.35
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(hydroxymethyl)-N-methylanilino]benzonitrile
CID 62981172
4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile
CID 138456777
4-[[7-(4-cyano-N-dibenzofuran-4-ylanilino)pyren-2-yl]-dibenzofuran-4-ylamino]benzonitrile
CID 129082360
4-[2-(1-hydroxyethyl)-N-methylanilino]benzonitrile
CID 62981699
N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138456773
4-(N-methyl-2-nitroanilino)benzonitrile
CID 62983487
4-dibenzofuran-1-yl-N-methyl-N-phenylaniline
CID 134561321
4-(7-dibenzofuran-1-ylnaphthalen-2-yl)benzonitrile
CID 70847339
4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile
CID 169061620
4-[N-dibenzofuran-3-yl-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]anilino]benzonitrile
CID 71126867
N-(4-dibenzofuran-1-ylphenyl)-N-methyl-4-phenylaniline
CID 167230878
3-[methyl(naphthalen-1-yl)amino]benzonitrile
CID 70645311

Frequently Asked Questions

What is the IUPAC name of 4-[dibenzofuran-1-yl(methyl)amino]benzonitrile?
The IUPAC name of 4-[dibenzofuran-1-yl(methyl)amino]benzonitrile (CID 170263045) is 4-[dibenzofuran-1-yl(methyl)amino]benzonitrile.
What is the SMILES notation for 4-[dibenzofuran-1-yl(methyl)amino]benzonitrile?
The canonical SMILES for 4-[dibenzofuran-1-yl(methyl)amino]benzonitrile is CN(c1ccc(C#N)cc1)c1cccc2oc3ccccc3c12.
What is the InChIKey of 4-[dibenzofuran-1-yl(methyl)amino]benzonitrile?
The InChIKey is XOUSBOWFRWBIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c1-22(15-11-9-14(13-21)10-12-15)17-6-4-8-19-20(17)16-5-2-3-7-18(16)23-19/h2-12H,1H3.
What are the key properties of 4-[dibenzofuran-1-yl(methyl)amino]benzonitrile?
4-[dibenzofuran-1-yl(methyl)amino]benzonitrile has a molecular weight of 298.35 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dibenzofuran-1-yl(methyl)amino]benzonitrile is sourced from PubChem (CID 170263045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).