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

C25H31GeN — CID 155611934

IUPAC[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane
SMILES[2H]C([2H])(c1cc(-c2ccc(-c3ccccc3)cc2)ncc1[Ge](C)(C)C)C(C)(C)C
InChIInChI=1S/C25H31GeN/c1-25(2,3)17-22-16-24(27-18-23(22)26(4,5)6)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-16,18H,17H2,1-6H3/i17D2
InChIKeyRSMISALZYIFXIW-FBCWWBABSA-N
MW420.15 g/mol
LogP6.55
Rot. Bonds4

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

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane (PubChem CID 155611934) has the molecular formula C25H31GeN and a molecular weight of 420.15 g/mol. Its IUPAC name is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane.

Molecular Properties

Compound Name[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane
PubChem CID155611934
Molecular FormulaC25H31GeN
Molecular Weight420.15 g/mol
Exact Mass421.18
IUPAC Name[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane
SMILES[2H]C([2H])(c1cc(-c2ccc(-c3ccccc3)cc2)ncc1[Ge](C)(C)C)C(C)(C)C
InChIInChI=1S/C25H31GeN/c1-25(2,3)17-22-16-24(27-18-23(22)26(4,5)6)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-16,18H,17H2,1-6H3/i17D2
InChIKeyRSMISALZYIFXIW-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 ≤ 500420.15
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-pyridin-3-yl-3-pyridinyl]-trimethylgermane
CID 169038628
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenanthren-2-yl-3-pyridinyl]-trimethylgermane
CID 164792226
3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline
CID 167355345
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 155612262
[4-(2-ethyl-2-methylbutyl)-6-phenyl-3-pyridinyl]-trimethylgermane
CID 156658626
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane
CID 155611079
trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]germane
CID 156660153
5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine
CID 129022095
(4-butan-2-yl-6-phenyl-3-pyridinyl)-trimethylgermane
CID 167332909
4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155610439
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-5-(trideuteriomethyl)pyridine
CID 156624479
4-[cyclopentyl(dideuterio)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155611088

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane?
The IUPAC name of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane (CID 155611934) is [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane.
What is the SMILES notation for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane?
The canonical SMILES for [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane is [2H]C([2H])(c1cc(-c2ccc(-c3ccccc3)cc2)ncc1[Ge](C)(C)C)C(C)(C)C.
What is the InChIKey of [4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane?
The InChIKey is RSMISALZYIFXIW-FBCWWBABSA-N. The full InChI is InChI=1S/C25H31GeN/c1-25(2,3)17-22-16-24(27-18-23(22)26(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]-trimethylgermane?
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane has a molecular weight of 420.15 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]-trimethylgermane is sourced from PubChem (CID 155611934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).