trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane

C22H21GeN — CID 156659883

IUPACtrimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2cccc3c2ccc2ccccc23)nc1
InChIInChI=1S/C22H21GeN/c1-23(2,3)17-12-14-22(24-15-17)21-10-6-9-19-18-8-5-4-7-16(18)11-13-20(19)21/h4-15H,1-3H3
InChIKeyOVJIPIUHBJCRPZ-UHFFFAOYSA-N
MW372.03 g/mol
LogP5.60
Rot. Bonds2

About trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane

trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane (PubChem CID 156659883) has the molecular formula C22H21GeN and a molecular weight of 372.03 g/mol. Its IUPAC name is trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane.

Molecular Properties

Compound Nametrimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane
PubChem CID156659883
Molecular FormulaC22H21GeN
Molecular Weight372.03 g/mol
Exact Mass373.09
IUPAC Nametrimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2cccc3c2ccc2ccccc23)nc1
InChIInChI=1S/C22H21GeN/c1-23(2,3)17-12-14-22(24-15-17)21-10-6-9-19-18-8-5-4-7-16(18)11-13-20(19)21/h4-15H,1-3H3
InChIKeyOVJIPIUHBJCRPZ-UHFFFAOYSA-N
XLogP5.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.03
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane?
The IUPAC name of trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane (CID 156659883) is trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane.
What is the SMILES notation for trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane?
The canonical SMILES for trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2cccc3c2ccc2ccccc23)nc1.
What is the InChIKey of trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane?
The InChIKey is OVJIPIUHBJCRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21GeN/c1-23(2,3)17-12-14-22(24-15-17)21-10-6-9-19-18-8-5-4-7-16(18)11-13-20(19)21/h4-15H,1-3H3.
What are the key properties of trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane?
trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane has a molecular weight of 372.03 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane is sourced from PubChem (CID 156659883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).