2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine

C24H25NO — CID 165169386

IUPAC2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2oc2cc(C(C)(C)C)ccc23)c1
InChIInChI=1S/C24H25NO/c1-15(2)16-11-12-25-21(13-16)20-8-6-7-19-18-10-9-17(24(3,4)5)14-22(18)26-23(19)20/h6-15H,1-5H3/i15D
InChIKeyBJRQACJIYCVKRS-RWFJLFJASA-N
MW344.48 g/mol
LogP7.07
Rot. Bonds2

About 2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine

2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine (PubChem CID 165169386) has the molecular formula C24H25NO and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine.

Molecular Properties

Compound Name2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
PubChem CID165169386
Molecular FormulaC24H25NO
Molecular Weight344.48 g/mol
Exact Mass344.20
IUPAC Name2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2oc2cc(C(C)(C)C)ccc23)c1
InChIInChI=1S/C24H25NO/c1-15(2)16-11-12-25-21(13-16)20-8-6-7-19-18-10-9-17(24(3,4)5)14-22(18)26-23(19)20/h6-15H,1-5H3/i15D
InChIKeyBJRQACJIYCVKRS-RWFJLFJASA-N
XLogP7.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine
CID 166573663
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine
CID 177279356
8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140692664
6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 155610480
4-(4-tert-butylphenyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)pyridine
CID 166043906

Frequently Asked Questions

What is the IUPAC name of 2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine?
The IUPAC name of 2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine (CID 165169386) is 2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine.
What is the SMILES notation for 2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine?
The canonical SMILES for 2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine is [2H]C(C)(C)c1ccnc(-c2cccc3c2oc2cc(C(C)(C)C)ccc23)c1.
What is the InChIKey of 2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine?
The InChIKey is BJRQACJIYCVKRS-RWFJLFJASA-N. The full InChI is InChI=1S/C24H25NO/c1-15(2)16-11-12-25-21(13-16)20-8-6-7-19-18-10-9-17(24(3,4)5)14-22(18)26-23(19)20/h6-15H,1-5H3/i15D.
What are the key properties of 2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine?
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine has a molecular weight of 344.48 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine is sourced from PubChem (CID 165169386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).