dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide

C25H39Cl2N3SiTi-2 — CID 11635085

IUPACdichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide
SMILESCc1cc(C)c([N-]CCN(CC[N-]c2c(C)cc(C)cc2C)[Si](C)(C)C)c(C)c1.Cl[Ti]Cl
InChIInChI=1S/C25H39N3Si.2ClH.Ti/c1-18-14-20(3)24(21(4)15-18)26-10-12-28(29(7,8)9)13-11-27-25-22(5)16-19(2)17-23(25)6;;;/h14-17H,10-13H2,1-9H3;2*1H;/q-2;;;+2/p-2
InChIKeyHKSXPKQYJREWRS-UHFFFAOYSA-L
MW528.47 g/mol
LogP8.76
Rot. Bonds9

About dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide

dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide (PubChem CID 11635085) has the molecular formula C25H39Cl2N3SiTi-2 and a molecular weight of 528.47 g/mol. Its IUPAC name is dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide.

Molecular Properties

Compound Namedichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide
PubChem CID11635085
Molecular FormulaC25H39Cl2N3SiTi-2
Molecular Weight528.47 g/mol
Exact Mass527.18
IUPAC Namedichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide
SMILESCc1cc(C)c([N-]CCN(CC[N-]c2c(C)cc(C)cc2C)[Si](C)(C)C)c(C)c1.Cl[Ti]Cl
InChIInChI=1S/C25H39N3Si.2ClH.Ti/c1-18-14-20(3)24(21(4)15-18)26-10-12-28(29(7,8)9)13-11-27-25-22(5)16-19(2)17-23(25)6;;;/h14-17H,10-13H2,1-9H3;2*1H;/q-2;;;+2/p-2
InChIKeyHKSXPKQYJREWRS-UHFFFAOYSA-L
XLogP8.76
TPSA31.44 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.47
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;propyl-(2,4,6-trimethylphenyl)azanide;zirconium
CID 58594809
carbanide;heptakis(dichlorotitanium);bis([dimethyl-(2-methylphenyl)azanidylsilyl]-(2-methylphenyl)azanide);tetrakis((2,6-dimethylphenyl)-[(2,6-dimethylphenyl)azanidyl-dimethylsilyl]azanide);(2,6-dimethylphenyl)-[(2,6-dimethylphenyl)azanidyl-diphenylsilyl]azanide;[dimethyl-(2,4,6-trimethylphenyl)azanidylsilyl]-(2,4,6-trimethylphenyl)azanide;tris(titanium(4+));(2,4,6-trimethylphenyl)-[2-(2,4,6-trimethylphenyl)azanidylethyl]azanide;(2,4,6-trimethylphenyl)-[2-(2,4,6-trimethylphenyl)azanidylphenyl]azanide
CID 162150223
lithium (2,4,6-trimethylphenyl)-trimethylsilylazanide
CID 12699524
dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide
CID 22968000
2-[benzyl-[(1-hydroxynaphthalen-2-yl)methyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;hafnium(4+);methanidylbenzene
CID 58633366
(2,3,4,5,6-pentamethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethylamino]ethyl]azanide;phenylmethanone;zirconium
CID 153430758
bis(bis(trimethylsilyl)azanide);bis(pyrrol-1-id-2-ylmethyl-(2,4,6-trimethylphenyl)azanide);bis(samarium(3+))
CID 139162003
dichloroiron(1+);4-hydroxypentan-2-yl-(2,4,6-trimethylphenyl)azanide
CID 153290983
1-(2,4,6-trimethylphenyl)-N-trimethylsilylmethanamine
CID 11964134
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
dichlorotitanium;2-[2-(9H-fluoren-9-yl)phenyl]propan-2-yl-(2,4,6-trimethylphenyl)azanide
CID 173093966
dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide
CID 22968050

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide?
The IUPAC name of dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide (CID 11635085) is dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide.
What is the SMILES notation for dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide?
The canonical SMILES for dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide is Cc1cc(C)c([N-]CCN(CC[N-]c2c(C)cc(C)cc2C)[Si](C)(C)C)c(C)c1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide?
The InChIKey is HKSXPKQYJREWRS-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H39N3Si.2ClH.Ti/c1-18-14-20(3)24(21(4)15-18)26-10-12-28(29(7,8)9)13-11-27-25-22(5)16-19(2)17-23(25)6;;;/h14-17H,10-13H2,1-9H3;2*1H;/q-2;;;+2/p-2.
What are the key properties of dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide?
dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide has a molecular weight of 528.47 g/mol, XLogP of 8.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide is sourced from PubChem (CID 11635085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).