3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline

C26H34GeN2 — CID 167355345

IUPAC3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline
SMILES[2H]C([2H])(c1cc(-c2cccc(N(C)c3ccccc3)c2)ncc1[Ge](C)(C)C)C(C)(C)C
InChIInChI=1S/C26H34GeN2/c1-26(2,3)18-21-17-25(28-19-24(21)27(4,5)6)20-12-11-15-23(16-20)29(7)22-13-9-8-10-14-22/h8-17,19H,18H2,1-7H3/i18D2
InChIKeyOTZKEWVYWIPMIB-CPLZMPMBSA-N
MW449.19 g/mol
LogP6.65
Rot. Bonds5

About 3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline

3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline (PubChem CID 167355345) has the molecular formula C26H34GeN2 and a molecular weight of 449.19 g/mol. Its IUPAC name is 3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline
PubChem CID167355345
Molecular FormulaC26H34GeN2
Molecular Weight449.19 g/mol
Exact Mass450.21
IUPAC Name3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline
SMILES[2H]C([2H])(c1cc(-c2cccc(N(C)c3ccccc3)c2)ncc1[Ge](C)(C)C)C(C)(C)C
InChIInChI=1S/C26H34GeN2/c1-26(2,3)18-21-17-25(28-19-24(21)27(4,5)6)20-12-11-15-23(16-20)29(7)22-13-9-8-10-14-22/h8-17,19H,18H2,1-7H3/i18D2
InChIKeyOTZKEWVYWIPMIB-CPLZMPMBSA-N
XLogP6.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.19
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylgermane
CID 155611934
[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
[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-phenylphenyl)-3-pyridinyl]-trimethylsilane
CID 155612262
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane
CID 155611079
trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]germane
CID 156660153
N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline
CID 58281729
N-methyl-3-naphthalen-2-yl-N-phenylaniline
CID 149001874
(4-butan-2-yl-6-phenyl-3-pyridinyl)-trimethylgermane
CID 167332909
5-(2,2-dimethylpropyl)-4-methyl-2-phenylpyridine
CID 129022095
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
N-methyl-N-phenyl-3-(3-phenylphenyl)aniline;N-methyl-N-phenyl-3-(4-phenylphenyl)aniline;N-methyl-N-phenyl-4-(2-phenylphenyl)aniline;N-methyl-N-phenyl-4-(3-phenylphenyl)aniline
CID 158130832

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline?
The IUPAC name of 3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline (CID 167355345) is 3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline.
What is the SMILES notation for 3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline?
The canonical SMILES for 3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline is [2H]C([2H])(c1cc(-c2cccc(N(C)c3ccccc3)c2)ncc1[Ge](C)(C)C)C(C)(C)C.
What is the InChIKey of 3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline?
The InChIKey is OTZKEWVYWIPMIB-CPLZMPMBSA-N. The full InChI is InChI=1S/C26H34GeN2/c1-26(2,3)18-21-17-25(28-19-24(21)27(4,5)6)20-12-11-15-23(16-20)29(7)22-13-9-8-10-14-22/h8-17,19H,18H2,1-7H3/i18D2.
What are the key properties of 3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline?
3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline has a molecular weight of 449.19 g/mol, XLogP of 6.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1-dideuterio-2,2-dimethylpropyl)-5-trimethylgermyl-2-pyridinyl]-N-methyl-N-phenylaniline is sourced from PubChem (CID 167355345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).