carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium)

C26H40N2Y2-2 — CID 158090530

IUPACcarbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium)
SMILESCC.CC.[3H]c1cn(C)c2cccc(C)c12.[3H]c1cn(C)c2cccc(C)c12.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/2C10H11N.2C2H6.2CH3.2Y/c2*1-8-4-3-5-10-9(8)6-7-11(10)2;2*1-2;;;;/h2*3-7H,1-2H3;2*1-2H3;2*1H3;;/q;;;;2*-1;;/i2*6T;;;;;;
InChIKeyWUTMRBIATOOXLI-NWVMIAGRSA-N
MW562.45 g/mol
LogP7.92
Rot. Bonds

About carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium)

carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium) (PubChem CID 158090530) has the molecular formula C26H40N2Y2-2 and a molecular weight of 562.45 g/mol. Its IUPAC name is carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium).

Molecular Properties

Compound Namecarbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium)
PubChem CID158090530
Molecular FormulaC26H40N2Y2-2
Molecular Weight562.45 g/mol
Exact Mass562.15
IUPAC Namecarbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium)
SMILESCC.CC.[3H]c1cn(C)c2cccc(C)c12.[3H]c1cn(C)c2cccc(C)c12.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/2C10H11N.2C2H6.2CH3.2Y/c2*1-8-4-3-5-10-9(8)6-7-11(10)2;2*1-2;;;;/h2*3-7H,1-2H3;2*1-2H3;2*1H3;;/q;;;;2*-1;;/i2*6T;;;;;;
InChIKeyWUTMRBIATOOXLI-NWVMIAGRSA-N
XLogP7.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.45
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium)?
The IUPAC name of carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium) (CID 158090530) is carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium).
What is the SMILES notation for carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium)?
The canonical SMILES for carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium) is CC.CC.[3H]c1cn(C)c2cccc(C)c12.[3H]c1cn(C)c2cccc(C)c12.[CH3-].[CH3-].[Y].[Y].
What is the InChIKey of carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium)?
The InChIKey is WUTMRBIATOOXLI-NWVMIAGRSA-N. The full InChI is InChI=1S/2C10H11N.2C2H6.2CH3.2Y/c2*1-8-4-3-5-10-9(8)6-7-11(10)2;2*1-2;;;;/h2*3-7H,1-2H3;2*1-2H3;2*1H3;;/q;;;;2*-1;;/i2*6T;;;;;;.
What are the key properties of carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium)?
carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium) has a molecular weight of 562.45 g/mol, XLogP of 7.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(1,4-dimethyl-3-tritioindole);ethane;bis(yttrium) is sourced from PubChem (CID 158090530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).