2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine

C28H25NO — CID 162708190

IUPAC2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2oc2cc(C([2H])(C)c4ccccc4)ccc23)c1
InChIInChI=1S/C28H25NO/c1-18(2)21-14-15-29-26(16-21)25-11-7-10-24-23-13-12-22(17-27(23)30-28(24)25)19(3)20-8-5-4-6-9-20/h4-19H,1-3H3/i18D,19D
InChIKeyHVVMTYNGWKQVCZ-JFMTYWEJSA-N
MW393.53 g/mol
LogP7.92
Rot. Bonds4

About 2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine

2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine (PubChem CID 162708190) has the molecular formula C28H25NO and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine.

Molecular Properties

Compound Name2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
PubChem CID162708190
Molecular FormulaC28H25NO
Molecular Weight393.53 g/mol
Exact Mass393.21
IUPAC Name2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
SMILES[2H]C(C)(C)c1ccnc(-c2cccc3c2oc2cc(C([2H])(C)c4ccccc4)ccc23)c1
InChIInChI=1S/C28H25NO/c1-18(2)21-14-15-29-26(16-21)25-11-7-10-24-23-13-12-22(17-27(23)30-28(24)25)19(3)20-8-5-4-6-9-20/h4-19H,1-3H3/i18D,19D
InChIKeyHVVMTYNGWKQVCZ-JFMTYWEJSA-N
XLogP7.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine with MolForge

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Related Compounds

4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine
CID 177279356
2-(7-tert-butyldibenzofuran-4-yl)-4-(2-deuteriopropan-2-yl)pyridine
CID 165169386
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
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
3-(1-deuterio-1-phenylethyl)-6-[3-(trideuteriomethyl)phenyl]dibenzofuran
CID 162709557
4-(2-deuteriopropan-2-yl)-2-[9-(3,5-dimethylphenyl)dibenzofuran-4-yl]pyridine
CID 166573663
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525
4-(3-methylbutan-2-yl)-2-(7-naphthalen-1-yldibenzofuran-4-yl)pyridine
CID 155611887

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine?
The IUPAC name of 2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine (CID 162708190) is 2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine.
What is the SMILES notation for 2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine?
The canonical SMILES for 2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine is [2H]C(C)(C)c1ccnc(-c2cccc3c2oc2cc(C([2H])(C)c4ccccc4)ccc23)c1.
What is the InChIKey of 2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine?
The InChIKey is HVVMTYNGWKQVCZ-JFMTYWEJSA-N. The full InChI is InChI=1S/C28H25NO/c1-18(2)21-14-15-29-26(16-21)25-11-7-10-24-23-13-12-22(17-27(23)30-28(24)25)19(3)20-8-5-4-6-9-20/h4-19H,1-3H3/i18D,19D.
What are the key properties of 2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine?
2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine has a molecular weight of 393.53 g/mol, XLogP of 7.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine is sourced from PubChem (CID 162708190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).