CID 139199108

C24H82Cl2Dy2Ge2N18S6 — CID 139199108

IUPAC—
SMILESNCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.S1[Ge]S[Ge]1.[Cl-].[Cl-].[Dy+3].[Dy+3].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/6C4H13N3.2ClH.2Dy.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
InChIKeyVYAOCZQTJAUABN-UHFFFAOYSA-H
MW1356.57 g/mol
LogP-15.58
Rot. Bonds24

About CID 139199108

CID 139199108 (PubChem CID 139199108) has the molecular formula C24H82Cl2Dy2Ge2N18S6 and a molecular weight of 1356.57 g/mol.

Molecular Properties

Compound NameCID 139199108
PubChem CID139199108
Molecular FormulaC24H82Cl2Dy2Ge2N18S6
Molecular Weight1356.57 g/mol
Exact Mass1360.17
IUPAC Name—
SMILESNCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.S1[Ge]S[Ge]1.[Cl-].[Cl-].[Dy+3].[Dy+3].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/6C4H13N3.2ClH.2Dy.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
InChIKeyVYAOCZQTJAUABN-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 ≤ 5001356.57
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'}

Analyze CID 139199108 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate
CID 139180336
CID 139196360
CID 139196360
bis(N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine);antimony(5+);europium(3+);tetrasulfide
CID 139196527
bis(N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine);antimony(5+);gadolinium(3+);tetrasulfide
CID 139196528
bis(N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine);antimony(5+);erbium(3+);tetrasulfide
CID 139196529
CID 139198474
CID 139198474
CID 139199105
CID 139199105
CID 139199106
CID 139199106
CID 139199107
CID 139199107
CID 139199109
CID 139199109
Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-kappa^3^N]nickel(II)} bis(tetrathioantimonate)
CID 139058100
CID 139198473
CID 139198473

Frequently Asked Questions

What is the IUPAC name of CID 139199108?
The IUPAC name of CID 139199108 (CID 139199108) is not available.
What is the SMILES notation for CID 139199108?
The canonical SMILES for CID 139199108 is NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.NCCNCCN.S1[Ge]S[Ge]1.[Cl-].[Cl-].[Dy+3].[Dy+3].[SH-].[SH-].[SH-].[SH-].
What is the InChIKey of CID 139199108?
The InChIKey is VYAOCZQTJAUABN-UHFFFAOYSA-H. The full InChI is InChI=1S/6C4H13N3.2ClH.2Dy.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 139199108?
CID 139199108 has a molecular weight of 1356.57 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 139199108 is sourced from PubChem (CID 139199108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).