CID 139199106

C24H82Cl2Ge2N18S6Sm2 — CID 139199106

IUPAC—
SMILESNCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.S1[Ge]S[Ge]1.[Cl-].[Cl-].[SH-].[SH-].[SH-].[SH-].[Sm+3].[Sm+3]
InChIInChI=1S/6C4H13N3.2ClH.Ge2S2.4H2S.2Sm/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
InChIKeyBFGFEJKWQOWJNZ-UHFFFAOYSA-H
MW1332.29 g/mol
LogP-15.58
Rot. Bonds24

About CID 139199106

CID 139199106 (PubChem CID 139199106) has the molecular formula C24H82Cl2Ge2N18S6Sm2 and a molecular weight of 1332.29 g/mol.

Molecular Properties

Compound NameCID 139199106
PubChem CID139199106
Molecular FormulaC24H82Cl2Ge2N18S6Sm2
Molecular Weight1332.29 g/mol
Exact Mass1336.15
IUPAC Name—
SMILESNCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.S1[Ge]S[Ge]1.[Cl-].[Cl-].[SH-].[SH-].[SH-].[SH-].[Sm+3].[Sm+3]
InChIInChI=1S/6C4H13N3.2ClH.Ge2S2.4H2S.2Sm/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
InChIKeyBFGFEJKWQOWJNZ-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 ≤ 5001332.29
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 139199106?
The IUPAC name of CID 139199106 (CID 139199106) is not available.
What is the SMILES notation for CID 139199106?
The canonical SMILES for CID 139199106 is NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.S1[Ge]S[Ge]1.[Cl-].[Cl-].[SH-].[SH-].[SH-].[SH-].[Sm+3].[Sm+3].
What is the InChIKey of CID 139199106?
The InChIKey is BFGFEJKWQOWJNZ-UHFFFAOYSA-H. The full InChI is InChI=1S/6C4H13N3.2ClH.Ge2S2.4H2S.2Sm/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 139199106?
CID 139199106 has a molecular weight of 1332.29 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 139199106 is sourced from PubChem (CID 139199106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).