benzene;carbanide;titanium(4+)

C19H18Ti — CID 23075151

IUPACbenzene;carbanide;titanium(4+)
SMILES[CH3-].[Ti+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.CH3.Ti/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H3;/q4*-1;+4
InChIKeyMLLPDLXTPCYKKH-UHFFFAOYSA-N
MW294.22 g/mol
LogP4.91
Rot. Bonds

About benzene;carbanide;titanium(4+)

benzene;carbanide;titanium(4+) (PubChem CID 23075151) has the molecular formula C19H18Ti and a molecular weight of 294.22 g/mol. Its IUPAC name is benzene;carbanide;titanium(4+).

Molecular Properties

Compound Namebenzene;carbanide;titanium(4+)
PubChem CID23075151
Molecular FormulaC19H18Ti
Molecular Weight294.22 g/mol
Exact Mass294.09
IUPAC Namebenzene;carbanide;titanium(4+)
SMILES[CH3-].[Ti+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.CH3.Ti/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H3;/q4*-1;+4
InChIKeyMLLPDLXTPCYKKH-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Tetraphenyltitanium
CID 13792723
Benzene;zirconium(4+)
CID 18688134
Bis(diphenyl)chromium
CID 129628881
Tetraphenylvanadium
CID 129642658
Tetraphenyl iron
CID 129723691
Tetraphenyluran
CID 129642792
Tetraphenylosmium
CID 129688799
Triphenylcyclopropenyl nickel
CID 129700282
Benzene;bis(manganese(2+))
CID 139213619
Benzene;titanium(3+)
CID 14981133
Benzene;hafnium(4+)
CID 18688211
Benzene;chlorotitanium(3+)
CID 18688483

Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;titanium(4+)?
The IUPAC name of benzene;carbanide;titanium(4+) (CID 23075151) is benzene;carbanide;titanium(4+).
What is the SMILES notation for benzene;carbanide;titanium(4+)?
The canonical SMILES for benzene;carbanide;titanium(4+) is [CH3-].[Ti+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;carbanide;titanium(4+)?
The InChIKey is MLLPDLXTPCYKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.CH3.Ti/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H3;/q4*-1;+4.
What are the key properties of benzene;carbanide;titanium(4+)?
benzene;carbanide;titanium(4+) has a molecular weight of 294.22 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;titanium(4+) is sourced from PubChem (CID 23075151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).