4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine

C26H21NO — CID 166575304

IUPAC4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2ccc(-c3ccccc3)c3c2oc2ccccc23)c1
InChIInChI=1S/C26H21NO/c1-17(2)19-14-15-27-23(16-19)21-13-12-20(18-8-4-3-5-9-18)25-22-10-6-7-11-24(22)28-26(21)25/h3-17H,1-2H3/i17D
InChIKeyJPSOFEFJSLFJBT-OKWSDYJOSA-N
MW364.47 g/mol
LogP7.44
Rot. Bonds3

About 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine

4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine (PubChem CID 166575304) has the molecular formula C26H21NO and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
PubChem CID166575304
Molecular FormulaC26H21NO
Molecular Weight364.47 g/mol
Exact Mass364.17
IUPAC Name4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2ccc(-c3ccccc3)c3c2oc2ccccc23)c1
InChIInChI=1S/C26H21NO/c1-17(2)19-14-15-27-23(16-19)21-13-12-20(18-8-4-3-5-9-18)25-22-10-6-7-11-24(22)28-26(21)25/h3-17H,1-2H3/i17D
InChIKeyJPSOFEFJSLFJBT-OKWSDYJOSA-N
XLogP7.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine (CID 166575304) is 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine is [2H]C(C)(C)c1ccnc(-c2ccc(-c3ccccc3)c3c2oc2ccccc23)c1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine?
The InChIKey is JPSOFEFJSLFJBT-OKWSDYJOSA-N. The full InChI is InChI=1S/C26H21NO/c1-17(2)19-14-15-27-23(16-19)21-13-12-20(18-8-4-3-5-9-18)25-22-10-6-7-11-24(22)28-26(21)25/h3-17H,1-2H3/i17D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine?
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine has a molecular weight of 364.47 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine is sourced from PubChem (CID 166575304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).