chlorotitanium(1+);diphenylazanide

C12H10ClNTi — CID 59831007

IUPACchlorotitanium(1+);diphenylazanide
SMILESCl[Ti+].c1ccc([N-]c2ccccc2)cc1
InChIInChI=1S/C12H10N.ClH.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10H;1H;/q-1;;+2/p-1
InChIKeyPWZVNBZLFCLKDT-UHFFFAOYSA-M
MW251.54 g/mol
LogP4.71
Rot. Bonds2

About chlorotitanium(1+);diphenylazanide

chlorotitanium(1+);diphenylazanide (PubChem CID 59831007) has the molecular formula C12H10ClNTi and a molecular weight of 251.54 g/mol. Its IUPAC name is chlorotitanium(1+);diphenylazanide.

Molecular Properties

Compound Namechlorotitanium(1+);diphenylazanide
PubChem CID59831007
Molecular FormulaC12H10ClNTi
Molecular Weight251.54 g/mol
Exact Mass251.00
IUPAC Namechlorotitanium(1+);diphenylazanide
SMILESCl[Ti+].c1ccc([N-]c2ccccc2)cc1
InChIInChI=1S/C12H10N.ClH.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10H;1H;/q-1;;+2/p-1
InChIKeyPWZVNBZLFCLKDT-UHFFFAOYSA-M
XLogP4.71
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

magnesium bis(diphenylazanide)
CID 15502538
tris(diphenylazanide);bis(iron(3+));tribromide
CID 173104294
hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide)
CID 58249962
phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide
CID 161083184
potassium phenyl(propan-2-yl)azanide
CID 141014055
methyl(phenyl)azanide;tetrachlorotantalum
CID 135085137
lithium phenyl(propyl)azanide
CID 159973083
4,5-dihydro-2H-1,3-oxazol-2-ide;diphenylazanide;iron(2+);phosphane
CID 174950086
anthracen-9-yl-(2-phenylazanidylphenyl)azanide;dichlorotitanium
CID 21130214
tert-butyl(phenyl)azanide
CID 101391554
bis(cyclopentane);[(1S,2S)-1,2-diphenyl-2-phenylazanidylethyl]-phenylazanide;zirconium(4+)
CID 23229385
tris(tert-butyl(phenyl)azanide);titanium(3+)
CID 10994603

Frequently Asked Questions

What is the IUPAC name of chlorotitanium(1+);diphenylazanide?
The IUPAC name of chlorotitanium(1+);diphenylazanide (CID 59831007) is chlorotitanium(1+);diphenylazanide.
What is the SMILES notation for chlorotitanium(1+);diphenylazanide?
The canonical SMILES for chlorotitanium(1+);diphenylazanide is Cl[Ti+].c1ccc([N-]c2ccccc2)cc1.
What is the InChIKey of chlorotitanium(1+);diphenylazanide?
The InChIKey is PWZVNBZLFCLKDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10N.ClH.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10H;1H;/q-1;;+2/p-1.
What are the key properties of chlorotitanium(1+);diphenylazanide?
chlorotitanium(1+);diphenylazanide has a molecular weight of 251.54 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorotitanium(1+);diphenylazanide is sourced from PubChem (CID 59831007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).