4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile

C37H21NO2 — CID 70847285

IUPAC4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C37H21NO2/c38-22-23-12-14-24(15-13-23)26-18-27(25-16-17-36-33(21-25)31-7-2-3-10-34(31)39-36)20-28(19-26)29-8-5-9-32-30-6-1-4-11-35(30)40-37(29)32/h1-21H
InChIKeyXWHMXXQACCINTA-UHFFFAOYSA-N
MW511.58 g/mol
LogP10.36
Rot. Bonds3

About 4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile

4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile (PubChem CID 70847285) has the molecular formula C37H21NO2 and a molecular weight of 511.58 g/mol. Its IUPAC name is 4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile.

Molecular Properties

Compound Name4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
PubChem CID70847285
Molecular FormulaC37H21NO2
Molecular Weight511.58 g/mol
Exact Mass511.16
IUPAC Name4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C37H21NO2/c38-22-23-12-14-24(15-13-23)26-18-27(25-16-17-36-33(21-25)31-7-2-3-10-34(31)39-36)20-28(19-26)29-8-5-9-32-30-6-1-4-11-35(30)40-37(29)32/h1-21H
InChIKeyXWHMXXQACCINTA-UHFFFAOYSA-N
XLogP10.36
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
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-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
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
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
CID 121298243
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 146354582
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile
CID 169061620
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146355229

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile?
The IUPAC name of 4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile (CID 70847285) is 4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile.
What is the SMILES notation for 4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile?
The canonical SMILES for 4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile is N#Cc1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile?
The InChIKey is XWHMXXQACCINTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NO2/c38-22-23-12-14-24(15-13-23)26-18-27(25-16-17-36-33(21-25)31-7-2-3-10-34(31)39-36)20-28(19-26)29-8-5-9-32-30-6-1-4-11-35(30)40-37(29)32/h1-21H.
What are the key properties of 4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile?
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile has a molecular weight of 511.58 g/mol, XLogP of 10.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile is sourced from PubChem (CID 70847285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).