2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile

C44H24N2O2 — CID 146354432

IUPAC2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2C#N)cc1
InChIInChI=1S/C44H24N2O2/c45-25-31-7-1-2-8-33(31)27-13-15-28(16-14-27)36-23-32(29-17-19-43-38(21-29)34-9-3-5-11-41(34)47-43)24-37(40(36)26-46)30-18-20-44-39(22-30)35-10-4-6-12-42(35)48-44/h1-24H
InChIKeyVXSRLXFMGJXCJU-UHFFFAOYSA-N
MW612.69 g/mol
LogP11.90
Rot. Bonds4

About 2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile

2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile (PubChem CID 146354432) has the molecular formula C44H24N2O2 and a molecular weight of 612.69 g/mol. Its IUPAC name is 2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile.

Molecular Properties

Compound Name2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
PubChem CID146354432
Molecular FormulaC44H24N2O2
Molecular Weight612.69 g/mol
Exact Mass612.18
IUPAC Name2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2C#N)cc1
InChIInChI=1S/C44H24N2O2/c45-25-31-7-1-2-8-33(31)27-13-15-28(16-14-27)36-23-32(29-17-19-43-38(21-29)34-9-3-5-11-41(34)47-43)24-37(40(36)26-46)30-18-20-44-39(22-30)35-10-4-6-12-42(35)48-44/h1-24H
InChIKeyVXSRLXFMGJXCJU-UHFFFAOYSA-N
XLogP11.90
TPSA73.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.69
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
CID 146353689
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
4-[4-cyano-3,5-di(dibenzofuran-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354530
2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354517
2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile
CID 146353730
8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile
CID 170374738
8-[3-(8-cyanodibenzofuran-2-yl)-5-[3-(2-cyanophenyl)phenyl]phenyl]dibenzofuran-2-carbonitrile
CID 146354560
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146355229
2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354764
2-(4-dibenzofuran-2-yl-3-dibenzothiophen-2-ylphenyl)benzonitrile
CID 146355677

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile?
The IUPAC name of 2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile (CID 146354432) is 2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile.
What is the SMILES notation for 2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile?
The canonical SMILES for 2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile is N#Cc1ccccc1-c1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2C#N)cc1.
What is the InChIKey of 2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile?
The InChIKey is VXSRLXFMGJXCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N2O2/c45-25-31-7-1-2-8-33(31)27-13-15-28(16-14-27)36-23-32(29-17-19-43-38(21-29)34-9-3-5-11-41(34)47-43)24-37(40(36)26-46)30-18-20-44-39(22-30)35-10-4-6-12-42(35)48-44/h1-24H.
What are the key properties of 2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile?
2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile has a molecular weight of 612.69 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile is sourced from PubChem (CID 146354432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).