6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile

C38H20N2O2 — CID 146353713

IUPAC6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2c(C#N)cccc23)c1
InChIInChI=1S/C38H20N2O2/c39-21-23-8-1-2-10-28(23)25-18-26(29-12-6-15-32-31-11-3-4-17-35(31)41-37(29)32)20-27(19-25)30-13-7-16-34-33-14-5-9-24(22-40)36(33)42-38(30)34/h1-20H
InChIKeyFBSTTZZSBYBDHV-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

About 6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile

6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile (PubChem CID 146353713) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile.

Molecular Properties

Compound Name6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
PubChem CID146353713
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
SMILESN#Cc1ccccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2c(C#N)cccc23)c1
InChIInChI=1S/C38H20N2O2/c39-21-23-8-1-2-10-28(23)25-18-26(29-12-6-15-32-31-11-3-4-17-35(31)41-37(29)32)20-27(19-25)30-13-7-16-34-33-14-5-9-24(22-40)36(33)42-38(30)34/h1-20H
InChIKeyFBSTTZZSBYBDHV-UHFFFAOYSA-N
XLogP10.23
TPSA73.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.59
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280
9-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354706
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile
CID 146353744
4-(3-dibenzofuran-1-yl-5-dibenzofuran-4-ylphenyl)benzene-1,3-dicarbonitrile
CID 146353844
2-(2-cyanophenyl)-6-dibenzofuran-2-yl-4-dibenzofuran-4-ylbenzonitrile
CID 146353825
2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile
CID 146353968
6-carbazol-9-yl-2-dibenzofuran-4-yldibenzofuran-4-carbonitrile
CID 147298764
3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
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

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile?
The IUPAC name of 6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile (CID 146353713) is 6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile.
What is the SMILES notation for 6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile?
The canonical SMILES for 6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile is N#Cc1ccccc1-c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2c(C#N)cccc23)c1.
What is the InChIKey of 6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile?
The InChIKey is FBSTTZZSBYBDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-23-8-1-2-10-28(23)25-18-26(29-12-6-15-32-31-11-3-4-17-35(31)41-37(29)32)20-27(19-25)30-13-7-16-34-33-14-5-9-24(22-40)36(33)42-38(30)34/h1-20H.
What are the key properties of 6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile?
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile has a molecular weight of 536.59 g/mol, XLogP of 10.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile is sourced from PubChem (CID 146353713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).