2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile

C37H21NO2 — CID 146354655

IUPAC2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C37H21NO2/c38-22-25-7-1-2-8-29(25)28-18-26(23-14-16-36-33(20-23)31-10-4-6-12-35(31)39-36)17-27(19-28)24-13-15-32-30-9-3-5-11-34(30)40-37(32)21-24/h1-21H
InChIKeyHHTGQLQYNFERGN-UHFFFAOYSA-N
MW511.58 g/mol
LogP10.36
Rot. Bonds3

About 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile

2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile (PubChem CID 146354655) has the molecular formula C37H21NO2 and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
PubChem CID146354655
Molecular FormulaC37H21NO2
Molecular Weight511.58 g/mol
Exact Mass511.16
IUPAC Name2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C37H21NO2/c38-22-25-7-1-2-8-29(25)28-18-26(23-14-16-36-33(20-23)31-10-4-6-12-35(31)39-36)17-27(19-28)24-13-15-32-30-9-3-5-11-34(30)40-37(32)21-24/h1-21H
InChIKeyHHTGQLQYNFERGN-UHFFFAOYSA-N
XLogP10.36
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
CID 146353689
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146355146
6-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354689
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280
2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354432
3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
CID 146354418
4-[3,5-di(dibenzofuran-3-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354641
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile?
The IUPAC name of 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile (CID 146354655) is 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile.
What is the SMILES notation for 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile?
The canonical SMILES for 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile is N#Cc1ccccc1-c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile?
The InChIKey is HHTGQLQYNFERGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NO2/c38-22-25-7-1-2-8-29(25)28-18-26(23-14-16-36-33(20-23)31-10-4-6-12-35(31)39-36)17-27(19-28)24-13-15-32-30-9-3-5-11-34(30)40-37(32)21-24/h1-21H.
What are the key properties of 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile?
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile has a molecular weight of 511.58 g/mol, XLogP of 10.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile is sourced from PubChem (CID 146354655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).