2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile

C43H25NO2 — CID 146355280

IUPAC2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)c2)c1
InChIInChI=1S/C43H25NO2/c44-26-30-9-1-2-12-34(30)29-11-7-10-27(21-29)31-22-32(28-19-20-38-36-13-3-5-17-40(36)45-42(38)25-28)24-33(23-31)35-15-8-16-39-37-14-4-6-18-41(37)46-43(35)39/h1-25H
InChIKeyCAEIMDGTVIWXRI-UHFFFAOYSA-N
MW587.68 g/mol
LogP12.03
Rot. Bonds4

About 2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile

2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile (PubChem CID 146355280) has the molecular formula C43H25NO2 and a molecular weight of 587.68 g/mol. Its IUPAC name is 2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
PubChem CID146355280
Molecular FormulaC43H25NO2
Molecular Weight587.68 g/mol
Exact Mass587.19
IUPAC Name2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)c2)c1
InChIInChI=1S/C43H25NO2/c44-26-30-9-1-2-12-34(30)29-11-7-10-27(21-29)31-22-32(28-19-20-38-36-13-3-5-17-40(36)45-42(38)25-28)24-33(23-31)35-15-8-16-39-37-14-4-6-18-41(37)46-43(35)39/h1-25H
InChIKeyCAEIMDGTVIWXRI-UHFFFAOYSA-N
XLogP12.03
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
CID 146353713
2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile
CID 146353968
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
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
4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile
CID 146354609
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile?
The IUPAC name of 2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile (CID 146355280) is 2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile?
The canonical SMILES for 2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile is N#Cc1ccccc1-c1cccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)c2)c1.
What is the InChIKey of 2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile?
The InChIKey is CAEIMDGTVIWXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NO2/c44-26-30-9-1-2-12-34(30)29-11-7-10-27(21-29)31-22-32(28-19-20-38-36-13-3-5-17-40(36)45-42(38)25-28)24-33(23-31)35-15-8-16-39-37-14-4-6-18-41(37)46-43(35)39/h1-25H.
What are the key properties of 2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile?
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile has a molecular weight of 587.68 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile is sourced from PubChem (CID 146355280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).