CID 139196360

C24H82Cl2Eu2Ge2N18S6 — CID 139196360

IUPAC—
SMILESNCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.S1[Ge]S[Ge]1.[Cl-].[Cl-].[Eu+3].[Eu+3].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/6C4H13N3.2ClH.2Eu.Ge2S2.4H2S/c6*5-1-3-7-4-2-6;;;;;1-3-2-4-1;;;;/h6*7H,1-6H2;2*1H;;;;4*1H2/q;;;;;;;;2*+3;;;;;/p-6
InChIKeyWEYNYBZTOSEITF-UHFFFAOYSA-H
MW1335.50 g/mol
LogP-15.58
Rot. Bonds24

About CID 139196360

CID 139196360 (PubChem CID 139196360) has the molecular formula C24H82Cl2Eu2Ge2N18S6 and a molecular weight of 1335.50 g/mol.

Molecular Properties

Compound NameCID 139196360
PubChem CID139196360
Molecular FormulaC24H82Cl2Eu2Ge2N18S6
Molecular Weight1335.50 g/mol
Exact Mass1338.15
IUPAC Name—
SMILESNCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.S1[Ge]S[Ge]1.[Cl-].[Cl-].[Eu+3].[Eu+3].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/6C4H13N3.2ClH.2Eu.Ge2S2.4H2S/c6*5-1-3-7-4-2-6;;;;;1-3-2-4-1;;;;/h6*7H,1-6H2;2*1H;;;;4*1H2/q;;;;;;;;2*+3;;;;;/p-6
InChIKeyWEYNYBZTOSEITF-UHFFFAOYSA-H
XLogP-15.58
TPSA384.42 Ų
H-Bond Donors18
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001335.50
LogP ≤ 5-15.58
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1024

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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Frequently Asked Questions

What is the IUPAC name of CID 139196360?
The IUPAC name of CID 139196360 (CID 139196360) is not available.
What is the SMILES notation for CID 139196360?
The canonical SMILES for CID 139196360 is NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.S1[Ge]S[Ge]1.[Cl-].[Cl-].[Eu+3].[Eu+3].[SH-].[SH-].[SH-].[SH-].
What is the InChIKey of CID 139196360?
The InChIKey is WEYNYBZTOSEITF-UHFFFAOYSA-H. The full InChI is InChI=1S/6C4H13N3.2ClH.2Eu.Ge2S2.4H2S/c6*5-1-3-7-4-2-6;;;;;1-3-2-4-1;;;;/h6*7H,1-6H2;2*1H;;;;4*1H2/q;;;;;;;;2*+3;;;;;/p-6.
What are the key properties of CID 139196360?
CID 139196360 has a molecular weight of 1335.50 g/mol, XLogP of -15.58, 24 rotatable bonds, 18 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139196360 is sourced from PubChem (CID 139196360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).