lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline)

C27H36LuN3 — CID 87556607

IUPAClutetium(3+);tris(2-methanidyl-N,N-dimethylaniline)
SMILES[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Lu+3]
InChIInChI=1S/3C9H12N.Lu/c3*1-8-6-4-5-7-9(8)10(2)3;/h3*4-7H,1H2,2-3H3;/q3*-1;+3
InChIKeyRXYWXMPZWPGCMB-UHFFFAOYSA-N
MW577.57 g/mol
LogP5.80
Rot. Bonds3

About lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline)

lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline) (PubChem CID 87556607) has the molecular formula C27H36LuN3 and a molecular weight of 577.57 g/mol. Its IUPAC name is lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline).

Molecular Properties

Compound Namelutetium(3+);tris(2-methanidyl-N,N-dimethylaniline)
PubChem CID87556607
Molecular FormulaC27H36LuN3
Molecular Weight577.57 g/mol
Exact Mass577.23
IUPAC Namelutetium(3+);tris(2-methanidyl-N,N-dimethylaniline)
SMILES[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Lu+3]
InChIInChI=1S/3C9H12N.Lu/c3*1-8-6-4-5-7-9(8)10(2)3;/h3*4-7H,1H2,2-3H3;/q3*-1;+3
InChIKeyRXYWXMPZWPGCMB-UHFFFAOYSA-N
XLogP5.80
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.57
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline)?
The IUPAC name of lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline) (CID 87556607) is lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline).
What is the SMILES notation for lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline)?
The canonical SMILES for lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline) is [CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[Lu+3].
What is the InChIKey of lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline)?
The InChIKey is RXYWXMPZWPGCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H12N.Lu/c3*1-8-6-4-5-7-9(8)10(2)3;/h3*4-7H,1H2,2-3H3;/q3*-1;+3.
What are the key properties of lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline)?
lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline) has a molecular weight of 577.57 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lutetium(3+);tris(2-methanidyl-N,N-dimethylaniline) is sourced from PubChem (CID 87556607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).