dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide

C21H20Cl2N2Ti-2 — CID 20668898

IUPACdichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide
SMILESCc1ccc([N-]c2ccccc2[N-]c2ccc(C)cc2C)cc1.Cl[Ti]Cl
InChIInChI=1S/C21H20N2.2ClH.Ti/c1-15-8-11-18(12-9-15)22-20-6-4-5-7-21(20)23-19-13-10-16(2)14-17(19)3;;;/h4-14H,1-3H3;2*1H;/q-2;;;+2/p-2
InChIKeySKFGOLOUCHHJOT-UHFFFAOYSA-L
MW419.18 g/mol
LogP8.66
Rot. Bonds4

About dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide

dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide (PubChem CID 20668898) has the molecular formula C21H20Cl2N2Ti-2 and a molecular weight of 419.18 g/mol. Its IUPAC name is dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide.

Molecular Properties

Compound Namedichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide
PubChem CID20668898
Molecular FormulaC21H20Cl2N2Ti-2
Molecular Weight419.18 g/mol
Exact Mass418.05
IUPAC Namedichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide
SMILESCc1ccc([N-]c2ccccc2[N-]c2ccc(C)cc2C)cc1.Cl[Ti]Cl
InChIInChI=1S/C21H20N2.2ClH.Ti/c1-15-8-11-18(12-9-15)22-20-6-4-5-7-21(20)23-19-13-10-16(2)14-17(19)3;;;/h4-14H,1-3H3;2*1H;/q-2;;;+2/p-2
InChIKeySKFGOLOUCHHJOT-UHFFFAOYSA-L
XLogP8.66
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.18
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide 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

dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide
CID 22968000
dichlorotitanium;toluene
CID 174475913
(4-methylphenyl)-[4-(4-methylphenyl)azanidylphenyl]azanide;bis(yttrium)
CID 140602040
toluene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480766
1,2,4-trimethylbenzene
CID 7247
2-methylaniline;1,3-xylene;1,4-xylene
CID 159970542
1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161029481
dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide
CID 22968050
1-[2-(chloromethyl)phenyl]-2,4-dimethylbenzene
CID 43840277
benzene;bis(1,4-xylene)
CID 159472747
ethane;1,3-xylene;1,4-xylene
CID 145425556
methane;1,3-xylene;1,4-xylene
CID 161051420

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide?
The IUPAC name of dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide (CID 20668898) is dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide.
What is the SMILES notation for dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide?
The canonical SMILES for dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide is Cc1ccc([N-]c2ccccc2[N-]c2ccc(C)cc2C)cc1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide?
The InChIKey is SKFGOLOUCHHJOT-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H20N2.2ClH.Ti/c1-15-8-11-18(12-9-15)22-20-6-4-5-7-21(20)23-19-13-10-16(2)14-17(19)3;;;/h4-14H,1-3H3;2*1H;/q-2;;;+2/p-2.
What are the key properties of dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide?
dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide has a molecular weight of 419.18 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide is sourced from PubChem (CID 20668898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).