9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile

C28H22N2O — CID 170253714

IUPAC9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile
SMILESCC(C)Cc1ccc(-c2ccccn2)c2oc3c(C#N)c(-c4ccccc4)ccc3c12
InChIInChI=1S/C28H22N2O/c1-18(2)16-20-11-12-22(25-10-6-7-15-30-25)28-26(20)23-14-13-21(19-8-4-3-5-9-19)24(17-29)27(23)31-28/h3-15,18H,16H2,1-2H3
InChIKeyLMEKWOYWTAJMEG-UHFFFAOYSA-N
MW402.50 g/mol
LogP7.39
Rot. Bonds4

About 9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile

9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile (PubChem CID 170253714) has the molecular formula C28H22N2O and a molecular weight of 402.50 g/mol. Its IUPAC name is 9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile.

Molecular Properties

Compound Name9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile
PubChem CID170253714
Molecular FormulaC28H22N2O
Molecular Weight402.50 g/mol
Exact Mass402.17
IUPAC Name9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile
SMILESCC(C)Cc1ccc(-c2ccccn2)c2oc3c(C#N)c(-c4ccccc4)ccc3c12
InChIInChI=1S/C28H22N2O/c1-18(2)16-20-11-12-22(25-10-6-7-15-30-25)28-26(20)23-14-13-21(19-8-4-3-5-9-19)24(17-29)27(23)31-28/h3-15,18H,16H2,1-2H3
InChIKeyLMEKWOYWTAJMEG-UHFFFAOYSA-N
XLogP7.39
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile 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

9-(1,1-dideuterio-2,2-dimethylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile
CID 171055533
6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
CID 170252554
9-(1,1-dideuterio-2,2-dimethylpropyl)-4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 171407231
4-carbazol-9-yl-9-(1,1-dideuterio-2,2-dimethylpropyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 171055531
4-carbazol-9-yl-9-propan-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 177287949
8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
CID 170253105
8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridine-4-carbonitrile
CID 154615719
2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169038674
1-(2-methylpropyl)-4,5-diphenylnaphthalene
CID 175424835
2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile
CID 156678731
3-fluoro-7-methyl-8-pyridin-2-yldibenzofuran-4-carbonitrile
CID 170250753
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-3-phenyldibenzofuran-4-carbonitrile
CID 167357518

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile?
The IUPAC name of 9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile (CID 170253714) is 9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile.
What is the SMILES notation for 9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile?
The canonical SMILES for 9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile is CC(C)Cc1ccc(-c2ccccn2)c2oc3c(C#N)c(-c4ccccc4)ccc3c12.
What is the InChIKey of 9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile?
The InChIKey is LMEKWOYWTAJMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O/c1-18(2)16-20-11-12-22(25-10-6-7-15-30-25)28-26(20)23-14-13-21(19-8-4-3-5-9-19)24(17-29)27(23)31-28/h3-15,18H,16H2,1-2H3.
What are the key properties of 9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile?
9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile has a molecular weight of 402.50 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile is sourced from PubChem (CID 170253714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).