[6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane

C20H27GeN — CID 166574987

IUPAC[6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane
SMILES[2H]C1(c2ccc(-c3ccc([Ge](C)(C)C)cn3)cc2)CCCCC1
InChIInChI=1S/C20H27GeN/c1-21(2,3)19-13-14-20(22-15-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-16H,4-8H2,1-3H3/i16D
InChIKeyYDIYBTKRWMLPPS-QNLPYAOMSA-N
MW355.06 g/mol
LogP5.34
Rot. Bonds3

About [6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane

[6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane (PubChem CID 166574987) has the molecular formula C20H27GeN and a molecular weight of 355.06 g/mol. Its IUPAC name is [6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane.

Molecular Properties

Compound Name[6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane
PubChem CID166574987
Molecular FormulaC20H27GeN
Molecular Weight355.06 g/mol
Exact Mass356.14
IUPAC Name[6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane
SMILES[2H]C1(c2ccc(-c3ccc([Ge](C)(C)C)cn3)cc2)CCCCC1
InChIInChI=1S/C20H27GeN/c1-21(2,3)19-13-14-20(22-15-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-16H,4-8H2,1-3H3/i16D
InChIKeyYDIYBTKRWMLPPS-QNLPYAOMSA-N
XLogP5.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.06
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane?
The IUPAC name of [6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane (CID 166574987) is [6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane.
What is the SMILES notation for [6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane?
The canonical SMILES for [6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane is [2H]C1(c2ccc(-c3ccc([Ge](C)(C)C)cn3)cc2)CCCCC1.
What is the InChIKey of [6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane?
The InChIKey is YDIYBTKRWMLPPS-QNLPYAOMSA-N. The full InChI is InChI=1S/C20H27GeN/c1-21(2,3)19-13-14-20(22-15-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-16H,4-8H2,1-3H3/i16D.
What are the key properties of [6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane?
[6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane has a molecular weight of 355.06 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(1-deuteriocyclohexyl)phenyl]-3-pyridinyl]-trimethylgermane is sourced from PubChem (CID 166574987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).