6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile

C23H20N2O — CID 170251829

IUPAC6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile
SMILESCC(C)(C)Cc1ccnc(-c2cccc3c2oc2c(C#N)cccc23)c1
InChIInChI=1S/C23H20N2O/c1-23(2,3)13-15-10-11-25-20(12-15)19-9-5-8-18-17-7-4-6-16(14-24)21(17)26-22(18)19/h4-12H,13H2,1-3H3
InChIKeyROGQVGZXAXRGGO-UHFFFAOYSA-N
MW340.43 g/mol
LogP6.11
Rot. Bonds2

About 6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile

6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile (PubChem CID 170251829) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile.

Molecular Properties

Compound Name6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile
PubChem CID170251829
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile
SMILESCC(C)(C)Cc1ccnc(-c2cccc3c2oc2c(C#N)cccc23)c1
InChIInChI=1S/C23H20N2O/c1-23(2,3)13-15-10-11-25-20(12-15)19-9-5-8-18-17-7-4-6-16(14-24)21(17)26-22(18)19/h4-12H,13H2,1-3H3
InChIKeyROGQVGZXAXRGGO-UHFFFAOYSA-N
XLogP6.11
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile?
The IUPAC name of 6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile (CID 170251829) is 6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile.
What is the SMILES notation for 6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile?
The canonical SMILES for 6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile is CC(C)(C)Cc1ccnc(-c2cccc3c2oc2c(C#N)cccc23)c1.
What is the InChIKey of 6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile?
The InChIKey is ROGQVGZXAXRGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-23(2,3)13-15-10-11-25-20(12-15)19-9-5-8-18-17-7-4-6-16(14-24)21(17)26-22(18)19/h4-12H,13H2,1-3H3.
What are the key properties of 6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile?
6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile has a molecular weight of 340.43 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile is sourced from PubChem (CID 170251829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).