CID 139206332

C64H168Ge4N8S12 — CID 139206332

IUPAC—
SMILESCCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.S1[Ge]S[Ge]1.S1[Ge]S[Ge]1.[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/8C8H19N.2Ge2S2.8H2S/c8*1-3-5-7-9-8-6-4-2;2*1-3-2-4-1;;;;;;;;/h8*9H,3-8H2,1-2H3;;;8*1H2
InChIKeySVRGBCTWXXEOTE-UHFFFAOYSA-N
MW1725.35 g/mol
LogP8.11
Rot. Bonds48

About CID 139206332

CID 139206332 (PubChem CID 139206332) has the molecular formula C64H168Ge4N8S12 and a molecular weight of 1725.35 g/mol.

Molecular Properties

Compound NameCID 139206332
PubChem CID139206332
Molecular FormulaC64H168Ge4N8S12
Molecular Weight1725.35 g/mol
Exact Mass1728.69
IUPAC Name—
SMILESCCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.S1[Ge]S[Ge]1.S1[Ge]S[Ge]1.[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/8C8H19N.2Ge2S2.8H2S/c8*1-3-5-7-9-8-6-4-2;2*1-3-2-4-1;;;;;;;;/h8*9H,3-8H2,1-2H3;;;8*1H2
InChIKeySVRGBCTWXXEOTE-UHFFFAOYSA-N
XLogP8.11
TPSA132.88 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds48
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001725.35
LogP ≤ 58.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

dibutylazanium hexafluorophosphate
CID 23620950
butyl(dodecyl)azanium
CID 91941247
butyl(tetradecyl)azanium chloride
CID 20788665
bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane
CID 159758461
didodecylazanium fluoride
CID 87135434
dioctadecylazanium tetrafluoroborate
CID 140565722
azanium;dioctadecylazanium;dichloride
CID 172767895
butyl(5-carboxypentyl)azanium
CID 145146425
butyl(3-trihydroxysilylpropyl)azanium bromide
CID 141269763
2-hydroxyethyl(nonyl)azanium iodide
CID 175684966
butyl(trifluoromethyl)azanium
CID 162251072
ethyl(tridecyl)azanium iodide
CID 88651524

Frequently Asked Questions

What is the IUPAC name of CID 139206332?
The IUPAC name of CID 139206332 (CID 139206332) is not available.
What is the SMILES notation for CID 139206332?
The canonical SMILES for CID 139206332 is CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.S1[Ge]S[Ge]1.S1[Ge]S[Ge]1.[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].
What is the InChIKey of CID 139206332?
The InChIKey is SVRGBCTWXXEOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/8C8H19N.2Ge2S2.8H2S/c8*1-3-5-7-9-8-6-4-2;2*1-3-2-4-1;;;;;;;;/h8*9H,3-8H2,1-2H3;;;8*1H2.
What are the key properties of CID 139206332?
CID 139206332 has a molecular weight of 1725.35 g/mol, XLogP of 8.11, 48 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139206332 is sourced from PubChem (CID 139206332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).