8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile

C27H20N2O — CID 170253105

IUPAC8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
SMILESCC(C)c1ccc(-c2ccc3oc4c(-c5ccccn5)ccc(C#N)c4c3c2)cc1
InChIInChI=1S/C27H20N2O/c1-17(2)18-6-8-19(9-7-18)20-11-13-25-23(15-20)26-21(16-28)10-12-22(27(26)30-25)24-5-3-4-14-29-24/h3-15,17H,1-2H3
InChIKeySLMNIIMMQOENKA-UHFFFAOYSA-N
MW388.47 g/mol
LogP7.31
Rot. Bonds3

About 8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile

8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile (PubChem CID 170253105) has the molecular formula C27H20N2O and a molecular weight of 388.47 g/mol. Its IUPAC name is 8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile.

Molecular Properties

Compound Name8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
PubChem CID170253105
Molecular FormulaC27H20N2O
Molecular Weight388.47 g/mol
Exact Mass388.16
IUPAC Name8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
SMILESCC(C)c1ccc(-c2ccc3oc4c(-c5ccccn5)ccc(C#N)c4c3c2)cc1
InChIInChI=1S/C27H20N2O/c1-17(2)18-6-8-19(9-7-18)20-11-13-25-23(15-20)26-21(16-28)10-12-22(27(26)30-25)24-5-3-4-14-29-24/h3-15,17H,1-2H3
InChIKeySLMNIIMMQOENKA-UHFFFAOYSA-N
XLogP7.31
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
CID 170252554
2-phenyl-8-(4-propan-2-ylphenyl)dibenzofuran
CID 67964002
2-(2-propan-2-yldibenzofuran-4-yl)pyridine
CID 156686806
4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 166575689
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353224
4-carbazol-9-yl-9-propan-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 177287949
2-(1-fluoro-7-phenyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 166573402
2-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]pyridine
CID 153423338
2-[6,8-bis(4-pyridin-2-ylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496815
2-(1-butan-2-yldibenzofuran-4-yl)pyridine
CID 171576764
4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077872
9-(2-methylpropyl)-3-phenyl-6-pyridin-2-yldibenzofuran-4-carbonitrile
CID 170253714

Frequently Asked Questions

What is the IUPAC name of 8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile?
The IUPAC name of 8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile (CID 170253105) is 8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile.
What is the SMILES notation for 8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile?
The canonical SMILES for 8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile is CC(C)c1ccc(-c2ccc3oc4c(-c5ccccn5)ccc(C#N)c4c3c2)cc1.
What is the InChIKey of 8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile?
The InChIKey is SLMNIIMMQOENKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O/c1-17(2)18-6-8-19(9-7-18)20-11-13-25-23(15-20)26-21(16-28)10-12-22(27(26)30-25)24-5-3-4-14-29-24/h3-15,17H,1-2H3.
What are the key properties of 8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile?
8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile has a molecular weight of 388.47 g/mol, XLogP of 7.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propan-2-ylphenyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile is sourced from PubChem (CID 170253105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).