CID 139199105

C24H82Cl2Ge2N18Pr2S6 — CID 139199105

IUPAC—
SMILESNCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.S1[Ge]S[Ge]1.[Cl-].[Cl-].[Pr+3].[Pr+3].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/6C4H13N3.2ClH.Ge2S2.2Pr.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
InChIKeyVONPDDNTBLCQAN-UHFFFAOYSA-H
MW1313.39 g/mol
LogP-15.58
Rot. Bonds24

About CID 139199105

CID 139199105 (PubChem CID 139199105) has the molecular formula C24H82Cl2Ge2N18Pr2S6 and a molecular weight of 1313.39 g/mol.

Molecular Properties

Compound NameCID 139199105
PubChem CID139199105
Molecular FormulaC24H82Cl2Ge2N18Pr2S6
Molecular Weight1313.39 g/mol
Exact Mass1314.12
IUPAC Name—
SMILESNCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.S1[Ge]S[Ge]1.[Cl-].[Cl-].[Pr+3].[Pr+3].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/6C4H13N3.2ClH.Ge2S2.2Pr.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
InChIKeyVONPDDNTBLCQAN-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 ≤ 5001313.39
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 139199105?
The IUPAC name of CID 139199105 (CID 139199105) is not available.
What is the SMILES notation for CID 139199105?
The canonical SMILES for CID 139199105 is NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.S1[Ge]S[Ge]1.[Cl-].[Cl-].[Pr+3].[Pr+3].[SH-].[SH-].[SH-].[SH-].
What is the InChIKey of CID 139199105?
The InChIKey is VONPDDNTBLCQAN-UHFFFAOYSA-H. The full InChI is InChI=1S/6C4H13N3.2ClH.Ge2S2.2Pr.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 139199105?
CID 139199105 has a molecular weight of 1313.39 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 139199105 is sourced from PubChem (CID 139199105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).