2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile

C38H23NO2 — CID 146353730

IUPAC2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile
SMILESCc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2C#N)c1
InChIInChI=1S/C38H23NO2/c1-23-7-6-8-25(17-23)30-20-27(24-13-15-37-32(18-24)28-9-2-4-11-35(28)40-37)21-31(34(30)22-39)26-14-16-38-33(19-26)29-10-3-5-12-36(29)41-38/h2-21H,1H3
InChIKeyPAZZJYOXQIUUHM-UHFFFAOYSA-N
MW525.61 g/mol
LogP10.67
Rot. Bonds3

About 2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile

2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile (PubChem CID 146353730) has the molecular formula C38H23NO2 and a molecular weight of 525.61 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile.

Molecular Properties

Compound Name2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile
PubChem CID146353730
Molecular FormulaC38H23NO2
Molecular Weight525.61 g/mol
Exact Mass525.17
IUPAC Name2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile
SMILESCc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2C#N)c1
InChIInChI=1S/C38H23NO2/c1-23-7-6-8-25(17-23)30-20-27(24-13-15-37-32(18-24)28-9-2-4-11-35(28)40-37)21-31(34(30)22-39)26-14-16-38-33(19-26)29-10-3-5-12-36(29)41-38/h2-21H,1H3
InChIKeyPAZZJYOXQIUUHM-UHFFFAOYSA-N
XLogP10.67
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354432
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146355229
6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161457454
ethane;2-(3-methylphenyl)-8-phenyldibenzofuran
CID 143904784
3-(3-methylphenyl)dibenzofuran
CID 70924364
4-[4-cyano-3,5-di(dibenzofuran-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354530
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 146354582
3-[3,5-di(dibenzofuran-2-yl)-2,6-dimethylphenyl]benzonitrile
CID 146354557
2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile
CID 146353866
methane;2-methyl-6-[3-(8-methyldibenzofuran-4-yl)phenyl]dibenzofuran;4-methyl-6-[3-(6-methyldibenzofuran-4-yl)phenyl]dibenzofuran;6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161126679
4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile
CID 146353688

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile?
The IUPAC name of 2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile (CID 146353730) is 2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile.
What is the SMILES notation for 2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile?
The canonical SMILES for 2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile is Cc1cccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2C#N)c1.
What is the InChIKey of 2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile?
The InChIKey is PAZZJYOXQIUUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO2/c1-23-7-6-8-25(17-23)30-20-27(24-13-15-37-32(18-24)28-9-2-4-11-35(28)40-37)21-31(34(30)22-39)26-14-16-38-33(19-26)29-10-3-5-12-36(29)41-38/h2-21H,1H3.
What are the key properties of 2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile?
2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile has a molecular weight of 525.61 g/mol, XLogP of 10.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile is sourced from PubChem (CID 146353730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).