tris(tert-butyl(phenyl)azanide);titanium(3+)

C30H42N3Ti — CID 10994603

IUPACtris(tert-butyl(phenyl)azanide);titanium(3+)
SMILESCC(C)(C)[N-]c1ccccc1.CC(C)(C)[N-]c1ccccc1.CC(C)(C)[N-]c1ccccc1.[Ti+3]
InChIInChI=1S/3C10H14N.Ti/c3*1-10(2,3)11-9-7-5-4-6-8-9;/h3*4-8H,1-3H3;/q3*-1;+3
InChIKeyYNBXEQXVANJQGB-UHFFFAOYSA-N
MW492.55 g/mol
LogP10.47
Rot. Bonds3

About tris(tert-butyl(phenyl)azanide);titanium(3+)

tris(tert-butyl(phenyl)azanide);titanium(3+) (PubChem CID 10994603) has the molecular formula C30H42N3Ti and a molecular weight of 492.55 g/mol. Its IUPAC name is tris(tert-butyl(phenyl)azanide);titanium(3+).

Molecular Properties

Compound Nametris(tert-butyl(phenyl)azanide);titanium(3+)
PubChem CID10994603
Molecular FormulaC30H42N3Ti
Molecular Weight492.55 g/mol
Exact Mass492.29
IUPAC Nametris(tert-butyl(phenyl)azanide);titanium(3+)
SMILESCC(C)(C)[N-]c1ccccc1.CC(C)(C)[N-]c1ccccc1.CC(C)(C)[N-]c1ccccc1.[Ti+3]
InChIInChI=1S/3C10H14N.Ti/c3*1-10(2,3)11-9-7-5-4-6-8-9;/h3*4-8H,1-3H3;/q3*-1;+3
InChIKeyYNBXEQXVANJQGB-UHFFFAOYSA-N
XLogP10.47
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tris(tert-butyl(phenyl)azanide);titanium(3+) 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

tert-butyl(phenyl)azanide
CID 101391554
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
tert-butyl-(3,5-dimethylphenyl)azanide
CID 101349910
CID 6396272
CID 6396272
2-[2-(1H-inden-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride
CID 87501421
magnesium bis(diphenylazanide)
CID 15502538
2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride
CID 87500616
2-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]propan-2-yl-phenylazanide;titanium(3+);dichloride
CID 87501015
1,1-diphenylethyl(trimethoxy)silane
CID 175023503
dimethyl(diphenyl)silane;2-phenylpropan-2-ylbenzene
CID 159821402
dimethoxy-bis(2-phenylpropan-2-yl)silane
CID 22988550

Frequently Asked Questions

What is the IUPAC name of tris(tert-butyl(phenyl)azanide);titanium(3+)?
The IUPAC name of tris(tert-butyl(phenyl)azanide);titanium(3+) (CID 10994603) is tris(tert-butyl(phenyl)azanide);titanium(3+).
What is the SMILES notation for tris(tert-butyl(phenyl)azanide);titanium(3+)?
The canonical SMILES for tris(tert-butyl(phenyl)azanide);titanium(3+) is CC(C)(C)[N-]c1ccccc1.CC(C)(C)[N-]c1ccccc1.CC(C)(C)[N-]c1ccccc1.[Ti+3].
What is the InChIKey of tris(tert-butyl(phenyl)azanide);titanium(3+)?
The InChIKey is YNBXEQXVANJQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H14N.Ti/c3*1-10(2,3)11-9-7-5-4-6-8-9;/h3*4-8H,1-3H3;/q3*-1;+3.
What are the key properties of tris(tert-butyl(phenyl)azanide);titanium(3+)?
tris(tert-butyl(phenyl)azanide);titanium(3+) has a molecular weight of 492.55 g/mol, XLogP of 10.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(tert-butyl(phenyl)azanide);titanium(3+) is sourced from PubChem (CID 10994603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).