[4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane

C26H33NSi — CID 166574521

IUPAC[4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane
SMILES[2H]C(C)(C)c1ccc(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1-c1ccccc1
InChIInChI=1S/C26H33NSi/c1-18(2)22-14-13-21(15-24(22)20-11-9-8-10-12-20)25-16-23(19(3)4)26(17-27-25)28(5,6)7/h8-19H,1-7H3/i18D,19D
InChIKeyIFOHEXXYUTVULC-JFMTYWEJSA-N
MW389.66 g/mol
LogP7.21
Rot. Bonds5

About [4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane

[4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane (PubChem CID 166574521) has the molecular formula C26H33NSi and a molecular weight of 389.66 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane
PubChem CID166574521
Molecular FormulaC26H33NSi
Molecular Weight389.66 g/mol
Exact Mass389.25
IUPAC Name[4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane
SMILES[2H]C(C)(C)c1ccc(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1-c1ccccc1
InChIInChI=1S/C26H33NSi/c1-18(2)22-14-13-21(15-24(22)20-11-9-8-10-12-20)25-16-23(19(3)4)26(17-27-25)28(5,6)7/h8-19H,1-7H3/i18D,19D
InChIKeyIFOHEXXYUTVULC-JFMTYWEJSA-N
XLogP7.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.66
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane?
The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane (CID 166574521) is [4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane is [2H]C(C)(C)c1ccc(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1-c1ccccc1.
What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane?
The InChIKey is IFOHEXXYUTVULC-JFMTYWEJSA-N. The full InChI is InChI=1S/C26H33NSi/c1-18(2)22-14-13-21(15-24(22)20-11-9-8-10-12-20)25-16-23(19(3)4)26(17-27-25)28(5,6)7/h8-19H,1-7H3/i18D,19D.
What are the key properties of [4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane?
[4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane has a molecular weight of 389.66 g/mol, XLogP of 7.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-deuteriopropan-2-yl)-6-[4-(2-deuteriopropan-2-yl)-3-phenylphenyl]-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 166574521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).