8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile

C44H24N2O2 — CID 146354419

IUPAC8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5c(C#N)cccc5-c5ccccc5)c4)cc3c2c1
InChIInChI=1S/C44H24N2O2/c45-25-27-13-16-41-37(19-27)39-24-30(15-18-43(39)48-41)33-20-32(29-14-17-42-38(23-29)36-10-4-5-12-40(36)47-42)21-34(22-33)44-31(26-46)9-6-11-35(44)28-7-2-1-3-8-28/h1-24H
InChIKeyMHYJPYHIOZDLTR-UHFFFAOYSA-N
MW612.69 g/mol
LogP11.90
Rot. Bonds4

About 8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile

8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile (PubChem CID 146354419) has the molecular formula C44H24N2O2 and a molecular weight of 612.69 g/mol. Its IUPAC name is 8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile
PubChem CID146354419
Molecular FormulaC44H24N2O2
Molecular Weight612.69 g/mol
Exact Mass612.18
IUPAC Name8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1ccc2oc3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5c(C#N)cccc5-c5ccccc5)c4)cc3c2c1
InChIInChI=1S/C44H24N2O2/c45-25-27-13-16-41-37(19-27)39-24-30(15-18-43(39)48-41)33-20-32(29-14-17-42-38(23-29)36-10-4-5-12-40(36)47-42)21-34(22-33)44-31(26-46)9-6-11-35(44)28-7-2-1-3-8-28/h1-24H
InChIKeyMHYJPYHIOZDLTR-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

3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
CID 146354418
8-[3-(8-cyanodibenzofuran-2-yl)-5-[3-(2-cyanophenyl)phenyl]phenyl]dibenzofuran-2-carbonitrile
CID 146354560
8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
CID 146353689
8-[3-(8-cyanodibenzofuran-2-yl)-5-[2-(2-cyanophenyl)phenyl]phenyl]dibenzofuran-2-carbonitrile;4-[3-(7-cyanodibenzofuran-2-yl)-5-dibenzofuran-2-ylphenyl]-5-phenylbenzene-1,3-dicarbonitrile;8-[3-[2-(2-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile;2-[3-dibenzofuran-2-yl-5-(8-phenyldibenzofuran-2-yl)phenyl]-3-phenylbenzonitrile;4-dibenzofuran-2-yl-2-(6-phenyldibenzofuran-2-yl)-6-(2-phenylphenyl)benzonitrile
CID 157052596
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
8-[3-(2-cyanophenyl)-4-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile;2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)benzonitrile;3-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)benzonitrile;2-[2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)phenyl]benzonitrile;3-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-5-phenylbenzonitrile
CID 157239816
2-[2,3-di(dibenzofuran-2-yl)phenyl]benzonitrile;3-[2,3-di(dibenzofuran-2-yl)phenyl]benzonitrile;3-[2,6-di(dibenzofuran-1-yl)phenyl]benzonitrile;3-[2,6-di(dibenzofuran-1-yl)phenyl]-5-phenylbenzonitrile;2-[3-[2,6-di(dibenzofuran-1-yl)phenyl]-5-phenylphenyl]benzonitrile
CID 161466472
7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353959
9-[3-[2-(2-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3,6-dicarbonitrile;9-[3-[2-(3-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3,6-dicarbonitrile;9-[3-[2-(4-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3,6-dicarbonitrile
CID 162133959
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile?
The IUPAC name of 8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile (CID 146354419) is 8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile.
What is the SMILES notation for 8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile?
The canonical SMILES for 8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile is N#Cc1ccc2oc3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5c(C#N)cccc5-c5ccccc5)c4)cc3c2c1.
What is the InChIKey of 8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile?
The InChIKey is MHYJPYHIOZDLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N2O2/c45-25-27-13-16-41-37(19-27)39-24-30(15-18-43(39)48-41)33-20-32(29-14-17-42-38(23-29)36-10-4-5-12-40(36)47-42)21-34(22-33)44-31(26-46)9-6-11-35(44)28-7-2-1-3-8-28/h1-24H.
What are the key properties of 8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile?
8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile 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 8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile is sourced from PubChem (CID 146354419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).