2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine

C22H23N — CID 166503070

IUPAC2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine
SMILES[2H]c1cc(-c2nc([2H])c([2H])c(-c3c([2H])c([2H])c(C([2H])([2H])C(C)(C)C)c([2H])c3[2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C22H23N/c1-22(2,3)16-17-9-11-18(12-10-17)20-13-14-23-21(15-20)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3/i4D,5D,6D,7D,9D,10D,11D,12D,13D,14D,15D,16D2
InChIKeyKBYCIZVBMXHUGQ-YMISCZHSSA-N
MW314.51 g/mol
LogP6.00
Rot. Bonds3

About 2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine

2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine (PubChem CID 166503070) has the molecular formula C22H23N and a molecular weight of 314.51 g/mol. Its IUPAC name is 2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine.

Molecular Properties

Compound Name2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine
PubChem CID166503070
Molecular FormulaC22H23N
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine
SMILES[2H]c1cc(-c2nc([2H])c([2H])c(-c3c([2H])c([2H])c(C([2H])([2H])C(C)(C)C)c([2H])c3[2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C22H23N/c1-22(2,3)16-17-9-11-18(12-10-17)20-13-14-23-21(15-20)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3/i4D,5D,6D,7D,9D,10D,11D,12D,13D,14D,15D,16D2
InChIKeyKBYCIZVBMXHUGQ-YMISCZHSSA-N
XLogP6.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine?
The IUPAC name of 2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine (CID 166503070) is 2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine.
What is the SMILES notation for 2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine?
The canonical SMILES for 2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine is [2H]c1cc(-c2nc([2H])c([2H])c(-c3c([2H])c([2H])c(C([2H])([2H])C(C)(C)C)c([2H])c3[2H])c2[2H])c([2H])c([2H])c1[2H].
What is the InChIKey of 2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine?
The InChIKey is KBYCIZVBMXHUGQ-YMISCZHSSA-N. The full InChI is InChI=1S/C22H23N/c1-22(2,3)16-17-9-11-18(12-10-17)20-13-14-23-21(15-20)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3/i4D,5D,6D,7D,9D,10D,11D,12D,13D,14D,15D,16D2.
What are the key properties of 2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine?
2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine has a molecular weight of 314.51 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trideuterio-4-[2,3,5,6-tetradeuterio-4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-6-(2,3,4,5-tetradeuteriophenyl)pyridine is sourced from PubChem (CID 166503070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).