2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine

C22H18N2O — CID 154615180

IUPAC2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine
SMILES[C-]#[N+]c1c(C)cc2c(oc3c(-c4ccccn4)cccc32)c1C(C)C
InChIInChI=1S/C22H18N2O/c1-13(2)19-20(23-4)14(3)12-17-15-8-7-9-16(21(15)25-22(17)19)18-10-5-6-11-24-18/h5-13H,1-3H3
InChIKeyFGNOPXSXGIHTMB-UHFFFAOYSA-N
MW326.40 g/mol
LogP6.63
Rot. Bonds2

About 2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine

2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine (PubChem CID 154615180) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine
PubChem CID154615180
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine
SMILES[C-]#[N+]c1c(C)cc2c(oc3c(-c4ccccn4)cccc32)c1C(C)C
InChIInChI=1S/C22H18N2O/c1-13(2)19-20(23-4)14(3)12-17-15-8-7-9-16(21(15)25-22(17)19)18-10-5-6-11-24-18/h5-13H,1-3H3
InChIKeyFGNOPXSXGIHTMB-UHFFFAOYSA-N
XLogP6.63
TPSA30.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethyldibenzofuran-4-yl)pyridine
CID 156686870
2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine
CID 154616033
2-dibenzofuran-4-ylpyridine
CID 59500175
2-[6-isocyano-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]pyridine
CID 154615902
2-(2-propan-2-yldibenzofuran-4-yl)pyridine
CID 156686806
2-(6,8-diethyldibenzofuran-4-yl)pyridine
CID 176637470
3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
CID 172522612
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-[6-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707082
4-pyridin-2-ylxanthen-9-one
CID 167260109
2,4-di(propan-2-yl)-8-pyridin-2-yl-[1]benzofuro[2,3-d]pyrimidine
CID 147893106
2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 165385994

Frequently Asked Questions

What is the IUPAC name of 2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine?
The IUPAC name of 2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine (CID 154615180) is 2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine.
What is the SMILES notation for 2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine?
The canonical SMILES for 2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine is [C-]#[N+]c1c(C)cc2c(oc3c(-c4ccccn4)cccc32)c1C(C)C.
What is the InChIKey of 2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine?
The InChIKey is FGNOPXSXGIHTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-13(2)19-20(23-4)14(3)12-17-15-8-7-9-16(21(15)25-22(17)19)18-10-5-6-11-24-18/h5-13H,1-3H3.
What are the key properties of 2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine?
2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine has a molecular weight of 326.40 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-isocyano-8-methyl-6-propan-2-yldibenzofuran-4-yl)pyridine is sourced from PubChem (CID 154615180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).