4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile

C46H28N4O — CID 175610644

IUPAC4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3c2oc2c(-c4cc(-c5cccnc5)cc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)c4)cccc23)cc1
InChIInChI=1S/C46H28N4O/c47-26-30-13-15-31(16-14-30)41-9-1-11-43-44-12-2-10-42(46(44)51-45(41)43)40-24-37(34-8-5-19-50-29-34)23-39(25-40)38-21-35(32-6-3-17-48-27-32)20-36(22-38)33-7-4-18-49-28-33/h1-25,27-29H
InChIKeyXLOZKIKEUCVDNR-UHFFFAOYSA-N
MW652.76 g/mol
LogP11.64
Rot. Bonds6

About 4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile

4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile (PubChem CID 175610644) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile
PubChem CID175610644
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2cccc3c2oc2c(-c4cc(-c5cccnc5)cc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)c4)cccc23)cc1
InChIInChI=1S/C46H28N4O/c47-26-30-13-15-31(16-14-30)41-9-1-11-43-44-12-2-10-42(46(44)51-45(41)43)40-24-37(34-8-5-19-50-29-34)23-39(25-40)38-21-35(32-6-3-17-48-27-32)20-36(22-38)33-7-4-18-49-28-33/h1-25,27-29H
InChIKeyXLOZKIKEUCVDNR-UHFFFAOYSA-N
XLogP11.64
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile
CID 175610988
3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
CID 171761270
3-[3-(3,5-dipyridin-3-ylphenyl)-5-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171761299
2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
CID 171760904
3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610202
3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760818
3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760980
3-[4-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760936
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
3-[4-[6-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760974
3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine
CID 171760954

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile?
The IUPAC name of 4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile (CID 175610644) is 4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile.
What is the SMILES notation for 4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile?
The canonical SMILES for 4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile is N#Cc1ccc(-c2cccc3c2oc2c(-c4cc(-c5cccnc5)cc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)c4)cccc23)cc1.
What is the InChIKey of 4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile?
The InChIKey is XLOZKIKEUCVDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c47-26-30-13-15-31(16-14-30)41-9-1-11-43-44-12-2-10-42(46(44)51-45(41)43)40-24-37(34-8-5-19-50-29-34)23-39(25-40)38-21-35(32-6-3-17-48-27-32)20-36(22-38)33-7-4-18-49-28-33/h1-25,27-29H.
What are the key properties of 4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile?
4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile has a molecular weight of 652.76 g/mol, XLogP of 11.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile is sourced from PubChem (CID 175610644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).