4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine

C28H25NO — CID 166573663

IUPAC4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2oc2cccc(-c4cc(C)cc(C)c4)c23)c1
InChIInChI=1S/C28H25NO/c1-17(2)20-11-12-29-25(16-20)23-8-5-9-24-27-22(7-6-10-26(27)30-28(23)24)21-14-18(3)13-19(4)15-21/h5-17H,1-4H3/i17D
InChIKeyMQUMYBWCJFYBDQ-OKWSDYJOSA-N
MW392.52 g/mol
LogP8.06
Rot. Bonds3

About 4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine

4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine (PubChem CID 166573663) has the molecular formula C28H25NO and a molecular weight of 392.52 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine
PubChem CID166573663
Molecular FormulaC28H25NO
Molecular Weight392.52 g/mol
Exact Mass392.20
IUPAC Name4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2oc2cccc(-c4cc(C)cc(C)c4)c23)c1
InChIInChI=1S/C28H25NO/c1-17(2)20-11-12-29-25(16-20)23-8-5-9-24-27-22(7-6-10-26(27)30-28(23)24)21-14-18(3)13-19(4)15-21/h5-17H,1-4H3/i17D
InChIKeyMQUMYBWCJFYBDQ-OKWSDYJOSA-N
XLogP8.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
CID 162708909
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166576727
2-[7-(3,5-dimethylphenyl)dibenzofuran-4-yl]-4-pentan-3-ylpyridine
CID 166574932
2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
CID 162708190
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
4-(2-deuteriopropan-2-yl)-2-(8-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
CID 165170605
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-3-yl)pyridine
CID 166578919

Frequently Asked Questions

What is the IUPAC name of 4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine?
The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine (CID 166573663) is 4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine?
The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine is [2H]C(C)(C)c1ccnc(-c2cccc3c2oc2cccc(-c4cc(C)cc(C)c4)c23)c1.
What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine?
The InChIKey is MQUMYBWCJFYBDQ-OKWSDYJOSA-N. The full InChI is InChI=1S/C28H25NO/c1-17(2)20-11-12-29-25(16-20)23-8-5-9-24-27-22(7-6-10-26(27)30-28(23)24)21-14-18(3)13-19(4)15-21/h5-17H,1-4H3/i17D.
What are the key properties of 4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine?
4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine has a molecular weight of 392.52 g/mol, XLogP of 8.06, 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-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 166573663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).