2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine

C27H25N — CID 162710408

IUPAC2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine
SMILES[2H]C(C)(C)c1ccc(-c2cc(C([2H])([2H])c3ccccc3)c(-c3ccccc3)cn2)cc1
InChIInChI=1S/C27H25N/c1-20(2)22-13-15-24(16-14-22)27-18-25(17-21-9-5-3-6-10-21)26(19-28-27)23-11-7-4-8-12-23/h3-16,18-20H,17H2,1-2H3/i17D2,20D
InChIKeyHAGLGJPTRNUUSY-MQJAMPLLSA-N
MW366.52 g/mol
LogP7.13
Rot. Bonds5

About 2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine

2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine (PubChem CID 162710408) has the molecular formula C27H25N and a molecular weight of 366.52 g/mol. Its IUPAC name is 2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine.

Molecular Properties

Compound Name2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine
PubChem CID162710408
Molecular FormulaC27H25N
Molecular Weight366.52 g/mol
Exact Mass366.22
IUPAC Name2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine
SMILES[2H]C(C)(C)c1ccc(-c2cc(C([2H])([2H])c3ccccc3)c(-c3ccccc3)cn2)cc1
InChIInChI=1S/C27H25N/c1-20(2)22-13-15-24(16-14-22)27-18-25(17-21-9-5-3-6-10-21)26(19-28-27)23-11-7-4-8-12-23/h3-16,18-20H,17H2,1-2H3/i17D2,20D
InChIKeyHAGLGJPTRNUUSY-MQJAMPLLSA-N
XLogP7.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.52
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
CID 140831627
4-[dideuterio(phenyl)methyl]-5-phenyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 162708287
5-(1-deuterio-1-phenylethyl)-2-dibenzofuran-2-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162710557
5-(2-deuteriopropan-2-yl)-2-[2-methyl-5-phenyl-4-(trideuteriomethyl)phenyl]pyridine
CID 166503371
2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine
CID 162709142
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
[6-[4-(2-deuteriopropan-2-yl)phenyl]-3-pyridinyl]-trimethylgermane
CID 156667549
4-benzyl-5-methyl-2-phenylpyridine
CID 162707148
4-(2-deuteriopropan-2-yl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 162707969
[4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane
CID 166574521
5-benzyl-4-methyl-2-phenylpyridine
CID 162710232

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine?
The IUPAC name of 2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine (CID 162710408) is 2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine.
What is the SMILES notation for 2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine?
The canonical SMILES for 2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine is [2H]C(C)(C)c1ccc(-c2cc(C([2H])([2H])c3ccccc3)c(-c3ccccc3)cn2)cc1.
What is the InChIKey of 2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine?
The InChIKey is HAGLGJPTRNUUSY-MQJAMPLLSA-N. The full InChI is InChI=1S/C27H25N/c1-20(2)22-13-15-24(16-14-22)27-18-25(17-21-9-5-3-6-10-21)26(19-28-27)23-11-7-4-8-12-23/h3-16,18-20H,17H2,1-2H3/i17D2,20D.
What are the key properties of 2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine?
2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine has a molecular weight of 366.52 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-deuteriopropan-2-yl)phenyl]-4-[dideuterio(phenyl)methyl]-5-phenylpyridine is sourced from PubChem (CID 162710408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).