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

C38H20N2O2 — CID 146355274

IUPAC6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4c3oc3ccc(C#N)cc34)c2)c1
InChIInChI=1S/C38H20N2O2/c39-21-23-5-3-6-25(15-23)27-17-28(26-12-13-32-31-7-1-2-10-35(31)41-37(32)20-26)19-29(18-27)30-8-4-9-33-34-16-24(22-40)11-14-36(34)42-38(30)33/h1-20H
InChIKeyQSKAWCNCHWVUEE-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

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

6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile (PubChem CID 146355274) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
PubChem CID146355274
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4c3oc3ccc(C#N)cc34)c2)c1
InChIInChI=1S/C38H20N2O2/c39-21-23-5-3-6-25(15-23)27-17-28(26-12-13-32-31-7-1-2-10-35(31)41-37(32)20-26)19-29(18-27)30-8-4-9-33-34-16-24(22-40)11-14-36(34)42-38(30)33/h1-20H
InChIKeyQSKAWCNCHWVUEE-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

3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
CID 121298243
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
7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353959
8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146355229

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
The IUPAC name of 6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile (CID 146355274) is 6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile.
What is the SMILES notation for 6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
The canonical SMILES for 6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile is N#Cc1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4c3oc3ccc(C#N)cc34)c2)c1.
What is the InChIKey of 6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
The InChIKey is QSKAWCNCHWVUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-23-5-3-6-25(15-23)27-17-28(26-12-13-32-31-7-1-2-10-35(31)41-37(32)20-26)19-29(18-27)30-8-4-9-33-34-16-24(22-40)11-14-36(34)42-38(30)33/h1-20H.
What are the key properties of 6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-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-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile is sourced from PubChem (CID 146355274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).