2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C24H26N2O — CID 155611964

IUPAC2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])C(c1ccnc(-c2cccc3c2oc2nc(C(C)(C)C)ccc23)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C24H26N2O/c1-23(2,3)15-12-13-25-19(14-15)18-9-7-8-16-17-10-11-20(24(4,5)6)26-22(17)27-21(16)18/h7-14H,1-6H3/i1D3,2D3,3D3
InChIKeyDJOWCFLGKXZJGZ-GQALSZNTSA-N
MW367.54 g/mol
LogP6.64
Rot. Bonds1

About 2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 155611964) has the molecular formula C24H26N2O and a molecular weight of 367.54 g/mol. Its IUPAC name is 2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID155611964
Molecular FormulaC24H26N2O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C([2H])([2H])C(c1ccnc(-c2cccc3c2oc2nc(C(C)(C)C)ccc23)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C24H26N2O/c1-23(2,3)15-12-13-25-19(14-15)18-9-7-8-16-17-10-11-20(24(4,5)6)26-22(17)27-21(16)18/h7-14H,1-6H3/i1D3,2D3,3D3
InChIKeyDJOWCFLGKXZJGZ-GQALSZNTSA-N
XLogP6.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155612019
8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 155610719
6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 155610480
CID 174116029
CID 174116029
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 162708303
4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile
CID 170546327
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791495
9-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-3-yl]-1,8-dimethylcarbazole
CID 169301818

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 155611964) is 2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is [2H]C([2H])([2H])C(c1ccnc(-c2cccc3c2oc2nc(C(C)(C)C)ccc23)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is DJOWCFLGKXZJGZ-GQALSZNTSA-N. The full InChI is InChI=1S/C24H26N2O/c1-23(2,3)15-12-13-25-19(14-15)18-9-7-8-16-17-10-11-20(24(4,5)6)26-22(17)27-21(16)18/h7-14H,1-6H3/i1D3,2D3,3D3.
What are the key properties of 2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 367.54 g/mol, XLogP of 6.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155611964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).