4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine

C26H21NO — CID 155611009

IUPAC4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2ccc3oc4cc(-c5ccccc5)ccc4c3c2)c1
InChIInChI=1S/C26H21NO/c1-17(2)19-12-13-27-24(15-19)21-9-11-25-23(14-21)22-10-8-20(16-26(22)28-25)18-6-4-3-5-7-18/h3-17H,1-2H3/i17D
InChIKeyCGFGCQKMYAASAL-OKWSDYJOSA-N
MW364.47 g/mol
LogP7.44
Rot. Bonds3

About 4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine

4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine (PubChem CID 155611009) has the molecular formula C26H21NO and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
PubChem CID155611009
Molecular FormulaC26H21NO
Molecular Weight364.47 g/mol
Exact Mass364.17
IUPAC Name4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2ccc3oc4cc(-c5ccccc5)ccc4c3c2)c1
InChIInChI=1S/C26H21NO/c1-17(2)19-12-13-27-24(15-19)21-9-11-25-23(14-21)22-10-8-20(16-26(22)28-25)18-6-4-3-5-7-18/h3-17H,1-2H3/i17D
InChIKeyCGFGCQKMYAASAL-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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Related Compounds

4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine
CID 166574655
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
CID 163739130
4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155610550
2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
CID 169038662
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine
CID 166578919
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
4-(2-deuteriopropan-2-yl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578701
4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine
CID 162708112
2-phenyl-8-(4-propan-2-ylphenyl)dibenzofuran
CID 67964002
4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
CID 162707121
4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
CID 140831627
2-(1-fluoro-7-phenyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 166573402

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine (CID 155611009) is 4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine is [2H]C(C)(C)c1ccnc(-c2ccc3oc4cc(-c5ccccc5)ccc4c3c2)c1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine?
The InChIKey is CGFGCQKMYAASAL-OKWSDYJOSA-N. The full InChI is InChI=1S/C26H21NO/c1-17(2)19-12-13-27-24(15-19)21-9-11-25-23(14-21)22-10-8-20(16-26(22)28-25)18-6-4-3-5-7-18/h3-17H,1-2H3/i17D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine?
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-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-(7-phenyldibenzofuran-2-yl)pyridine is sourced from PubChem (CID 155611009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).