[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane

C25H31NSi — CID 155612262

IUPAC[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane
SMILES[2H]C([2H])(c1cc(-c2ccc(-c3ccccc3)cc2)ncc1[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C25H31NSi/c1-25(2,3)17-22-16-23(26-18-24(22)27(4,5)6)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-16,18H,17H2,1-6H3/i17D2
InChIKeyWCVSOPHAUHALLD-FBCWWBABSA-N
MW375.63 g/mol
LogP6.55
Rot. Bonds4

About [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane (PubChem CID 155612262) has the molecular formula C25H31NSi and a molecular weight of 375.63 g/mol. Its IUPAC name is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane
PubChem CID155612262
Molecular FormulaC25H31NSi
Molecular Weight375.63 g/mol
Exact Mass375.24
IUPAC Name[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane
SMILES[2H]C([2H])(c1cc(-c2ccc(-c3ccccc3)cc2)ncc1[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C25H31NSi/c1-25(2,3)17-22-16-23(26-18-24(22)27(4,5)6)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-16,18H,17H2,1-6H3/i17D2
InChIKeyWCVSOPHAUHALLD-FBCWWBABSA-N
XLogP6.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.63
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane
CID 155611934
(4-tert-butyl-6-phenyl-3-pyridinyl)-trimethylsilane
CID 140710315
(4-butyl-6-phenyl-3-pyridinyl)-trimethylsilane
CID 140738941
(4,6-diphenyl-3-pyridinyl)-trimethylsilane
CID 140710428
[4-(2,2-dimethylpropyl)-6-(3-methylphenyl)-3-pyridinyl]-trimethylsilane
CID 155611943
trimethyl-[6-(3-phenylphenyl)-4-propyl-3-pyridinyl]silane
CID 140738883
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
CID 140738962
trimethyl-[4-pentyl-6-(3-phenylphenyl)-3-pyridinyl]silane
CID 140739178
trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 140720447
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane
CID 164792226
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;3-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)isoquinoline
CID 166576701
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-pyridin-3-yl-3-pyridinyl]-trimethylgermane
CID 169038628

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane?
The IUPAC name of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane (CID 155612262) is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane is [2H]C([2H])(c1cc(-c2ccc(-c3ccccc3)cc2)ncc1[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane?
The InChIKey is WCVSOPHAUHALLD-FBCWWBABSA-N. The full InChI is InChI=1S/C25H31NSi/c1-25(2,3)17-22-16-23(26-18-24(22)27(4,5)6)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-16,18H,17H2,1-6H3/i17D2.
What are the key properties of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane?
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane has a molecular weight of 375.63 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 155612262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).