chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine)

C27H36CrN3 — CID 21399621

IUPACchromium(3+);tris(N,N-dimethyl-1-phenylmethanamine)
SMILESCN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.[Cr+3]
InChIInChI=1S/3C9H12N.Cr/c3*1-10(2)8-9-6-4-3-5-7-9;/h3*3-6H,8H2,1-2H3;/q3*-1;+3
InChIKeyLXMPNXGMBZASOO-UHFFFAOYSA-N
MW454.60 g/mol
LogP4.64
Rot. Bonds6

About chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine)

chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine) (PubChem CID 21399621) has the molecular formula C27H36CrN3 and a molecular weight of 454.60 g/mol. Its IUPAC name is chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine).

Molecular Properties

Compound Namechromium(3+);tris(N,N-dimethyl-1-phenylmethanamine)
PubChem CID21399621
Molecular FormulaC27H36CrN3
Molecular Weight454.60 g/mol
Exact Mass454.23
IUPAC Namechromium(3+);tris(N,N-dimethyl-1-phenylmethanamine)
SMILESCN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.[Cr+3]
InChIInChI=1S/3C9H12N.Cr/c3*1-10(2)8-9-6-4-3-5-7-9;/h3*3-6H,8H2,1-2H3;/q3*-1;+3
InChIKeyLXMPNXGMBZASOO-UHFFFAOYSA-N
XLogP4.64
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine) 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 chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine)?
The IUPAC name of chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine) (CID 21399621) is chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine).
What is the SMILES notation for chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine)?
The canonical SMILES for chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine) is CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.[Cr+3].
What is the InChIKey of chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine)?
The InChIKey is LXMPNXGMBZASOO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H12N.Cr/c3*1-10(2)8-9-6-4-3-5-7-9;/h3*3-6H,8H2,1-2H3;/q3*-1;+3.
What are the key properties of chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine)?
chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine) has a molecular weight of 454.60 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);tris(N,N-dimethyl-1-phenylmethanamine) is sourced from PubChem (CID 21399621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).