2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine

C23H23NO — CID 141322969

IUPAC2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine
SMILESCCCc1cccnc1-c1cccc2c1oc1c(C(C)C)cccc12
InChIInChI=1S/C23H23NO/c1-4-8-16-9-7-14-24-21(16)20-13-6-12-19-18-11-5-10-17(15(2)3)22(18)25-23(19)20/h5-7,9-15H,4,8H2,1-3H3
InChIKeyHJOMTZQVUQHBET-UHFFFAOYSA-N
MW329.44 g/mol
LogP6.72
Rot. Bonds4

About 2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine

2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine (PubChem CID 141322969) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine.

Molecular Properties

Compound Name2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine
PubChem CID141322969
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine
SMILESCCCc1cccnc1-c1cccc2c1oc1c(C(C)C)cccc12
InChIInChI=1S/C23H23NO/c1-4-8-16-9-7-14-24-21(16)20-13-6-12-19-18-11-5-10-17(15(2)3)22(18)25-23(19)20/h5-7,9-15H,4,8H2,1-3H3
InChIKeyHJOMTZQVUQHBET-UHFFFAOYSA-N
XLogP6.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine?
The IUPAC name of 2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine (CID 141322969) is 2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine.
What is the SMILES notation for 2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine?
The canonical SMILES for 2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine is CCCc1cccnc1-c1cccc2c1oc1c(C(C)C)cccc12.
What is the InChIKey of 2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine?
The InChIKey is HJOMTZQVUQHBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-4-8-16-9-7-14-24-21(16)20-13-6-12-19-18-11-5-10-17(15(2)3)22(18)25-23(19)20/h5-7,9-15H,4,8H2,1-3H3.
What are the key properties of 2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine?
2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine has a molecular weight of 329.44 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-yldibenzofuran-4-yl)-3-propylpyridine is sourced from PubChem (CID 141322969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).