4-(3-dibenzofuran-4-ylphenyl)benzonitrile

C25H15NO — CID 90393148

IUPAC4-(3-dibenzofuran-4-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C25H15NO/c26-16-17-11-13-18(14-12-17)19-5-3-6-20(15-19)21-8-4-9-23-22-7-1-2-10-24(22)27-25(21)23/h1-15H
InChIKeyVDNRPVGBNLIHQV-UHFFFAOYSA-N
MW345.40 g/mol
LogP6.79
Rot. Bonds2

About 4-(3-dibenzofuran-4-ylphenyl)benzonitrile

4-(3-dibenzofuran-4-ylphenyl)benzonitrile (PubChem CID 90393148) has the molecular formula C25H15NO and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-ylphenyl)benzonitrile.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-ylphenyl)benzonitrile
PubChem CID90393148
Molecular FormulaC25H15NO
Molecular Weight345.40 g/mol
Exact Mass345.12
IUPAC Name4-(3-dibenzofuran-4-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C25H15NO/c26-16-17-11-13-18(14-12-17)19-5-3-6-20(15-19)21-8-4-9-23-22-7-1-2-10-24(22)27-25(21)23/h1-15H
InChIKeyVDNRPVGBNLIHQV-UHFFFAOYSA-N
XLogP6.79
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile
CID 90393086
3-dibenzofuran-4-yl-5-[3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 90393083
6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
CID 121298243
4-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)phenyl]benzonitrile
CID 70847349
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
4-[4-[4-(5-dibenzofuran-4-yl-3,6-diphenylpyrazin-2-yl)phenyl]phenyl]benzonitrile
CID 156509347
4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile
CID 169061620
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile
CID 146354823
3-[4-(3-cyano-5-dibenzofuran-4-ylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;5-[3-(3-cyano-4-dibenzofuran-4-ylphenyl)phenyl]-2-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-phenylphenyl]-5-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-(3-phenylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-(4-phenylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;3-dibenzofuran-4-yl-5-[4-(3-dibenzofuran-4-ylphenyl)phenyl]benzonitrile;3-dibenzofuran-4-yl-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]benzonitrile;3-dibenzofuran-4-yl-5-[3-(3-dibenzofuran-4-ylphenyl)-5-phenylphenyl]benzonitrile
CID 159814900
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)benzonitrile?
The IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)benzonitrile (CID 90393148) is 4-(3-dibenzofuran-4-ylphenyl)benzonitrile.
What is the SMILES notation for 4-(3-dibenzofuran-4-ylphenyl)benzonitrile?
The canonical SMILES for 4-(3-dibenzofuran-4-ylphenyl)benzonitrile is N#Cc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-4-ylphenyl)benzonitrile?
The InChIKey is VDNRPVGBNLIHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15NO/c26-16-17-11-13-18(14-12-17)19-5-3-6-20(15-19)21-8-4-9-23-22-7-1-2-10-24(22)27-25(21)23/h1-15H.
What are the key properties of 4-(3-dibenzofuran-4-ylphenyl)benzonitrile?
4-(3-dibenzofuran-4-ylphenyl)benzonitrile has a molecular weight of 345.40 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-4-ylphenyl)benzonitrile is sourced from PubChem (CID 90393148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).