4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile

C37H21NO2 — CID 146354609

IUPAC4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile
SMILESN#Cc1cc(-c2cccc3c2oc2ccccc23)c(-c2ccc3c(c2)oc2ccccc23)cc1-c1ccccc1
InChIInChI=1S/C37H21NO2/c38-22-25-19-33(30-14-8-13-29-27-12-5-7-16-35(27)40-37(29)30)32(21-31(25)23-9-2-1-3-10-23)24-17-18-28-26-11-4-6-15-34(26)39-36(28)20-24/h1-21H
InChIKeyFSFRQWRBFWLNFN-UHFFFAOYSA-N
MW511.58 g/mol
LogP10.36
Rot. Bonds3

About 4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile

4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile (PubChem CID 146354609) has the molecular formula C37H21NO2 and a molecular weight of 511.58 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile
PubChem CID146354609
Molecular FormulaC37H21NO2
Molecular Weight511.58 g/mol
Exact Mass511.16
IUPAC Name4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile
SMILESN#Cc1cc(-c2cccc3c2oc2ccccc23)c(-c2ccc3c(c2)oc2ccccc23)cc1-c1ccccc1
InChIInChI=1S/C37H21NO2/c38-22-25-19-33(30-14-8-13-29-27-12-5-7-16-35(27)40-37(29)30)32(21-31(25)23-9-2-1-3-10-23)24-17-18-28-26-11-4-6-15-34(26)39-36(28)20-24/h1-21H
InChIKeyFSFRQWRBFWLNFN-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

4,5-di(dibenzofuran-3-yl)-2-phenylbenzonitrile
CID 146355357
2-[3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)phenyl]benzonitrile
CID 146355280
2-(2-dibenzofuran-3-yl-3-dibenzofuran-4-ylphenyl)benzonitrile
CID 146353968
2-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354480
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535
2-[7-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176773450
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
3-[4-(3-cyano-5-dibenzofuran-4-ylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;5-[3-(3-cyano-4-dibenzofuran-4-ylphenyl)phenyl]-2-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-phenylphenyl]-5-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-(3-phenylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;3-[3-(3-cyano-5-dibenzofuran-4-ylphenyl)-5-(4-phenylphenyl)phenyl]-5-dibenzofuran-4-ylbenzonitrile;3-dibenzofuran-4-yl-5-[4-(3-dibenzofuran-4-ylphenyl)phenyl]benzonitrile;3-dibenzofuran-4-yl-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]benzonitrile;3-dibenzofuran-4-yl-5-[3-(3-dibenzofuran-4-ylphenyl)-5-phenylphenyl]benzonitrile
CID 159814900
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377164
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
3-[3-[4-dibenzofuran-4-yl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774782
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile?
The IUPAC name of 4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile (CID 146354609) is 4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile.
What is the SMILES notation for 4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile?
The canonical SMILES for 4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile is N#Cc1cc(-c2cccc3c2oc2ccccc23)c(-c2ccc3c(c2)oc2ccccc23)cc1-c1ccccc1.
What is the InChIKey of 4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile?
The InChIKey is FSFRQWRBFWLNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NO2/c38-22-25-19-33(30-14-8-13-29-27-12-5-7-16-35(27)40-37(29)30)32(21-31(25)23-9-2-1-3-10-23)24-17-18-28-26-11-4-6-15-34(26)39-36(28)20-24/h1-21H.
What are the key properties of 4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile?
4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile 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 4-dibenzofuran-3-yl-5-dibenzofuran-4-yl-2-phenylbenzonitrile is sourced from PubChem (CID 146354609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).