dichlorotitanium;diphenylmethylbenzene

C19H15Cl2Ti- — CID 78065476

IUPACdichlorotitanium;diphenylmethylbenzene
SMILESCl[Ti]Cl.c1ccc([C-](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.2ClH.Ti/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-15H;2*1H;/q-1;;;+2/p-2
InChIKeyNANAYARMNWULNI-UHFFFAOYSA-L
MW362.10 g/mol
LogP6.08
Rot. Bonds3

About dichlorotitanium;diphenylmethylbenzene

dichlorotitanium;diphenylmethylbenzene (PubChem CID 78065476) has the molecular formula C19H15Cl2Ti- and a molecular weight of 362.10 g/mol. Its IUPAC name is dichlorotitanium;diphenylmethylbenzene.

Molecular Properties

Compound Namedichlorotitanium;diphenylmethylbenzene
PubChem CID78065476
Molecular FormulaC19H15Cl2Ti-
Molecular Weight362.10 g/mol
Exact Mass361.00
IUPAC Namedichlorotitanium;diphenylmethylbenzene
SMILESCl[Ti]Cl.c1ccc([C-](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H15.2ClH.Ti/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-15H;2*1H;/q-1;;;+2/p-2
InChIKeyNANAYARMNWULNI-UHFFFAOYSA-L
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.10
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(diphenylmethylbenzene);palladium
CID 57423444
dilithium;diphenylmethylbenzene;hydride
CID 173115041
calcium;lithium;diphenylmethylbenzene;hydride;molecular hydrogen
CID 174921714
sodium;diphenylmethylbenzene;sulfurous acid
CID 174649628
sodium;diphenylmethylbenzene;ethoxyethane
CID 174702547
dichlorotitanium;toluene
CID 174475913
1-chloro-N,N-dimethyl-1-phenylmethanamine
CID 134900800
1-phenylethylbenzene;tungsten
CID 59887393
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271
1-bromo-3-(diphenylmethyl)-5-(diphenylmethyl)benzene
CID 102490196
magnesium;propan-2-ylbenzene;chloride
CID 14168514
1-phenylethanamine
CID 59898296

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;diphenylmethylbenzene?
The IUPAC name of dichlorotitanium;diphenylmethylbenzene (CID 78065476) is dichlorotitanium;diphenylmethylbenzene.
What is the SMILES notation for dichlorotitanium;diphenylmethylbenzene?
The canonical SMILES for dichlorotitanium;diphenylmethylbenzene is Cl[Ti]Cl.c1ccc([C-](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichlorotitanium;diphenylmethylbenzene?
The InChIKey is NANAYARMNWULNI-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H15.2ClH.Ti/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h1-15H;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorotitanium;diphenylmethylbenzene?
dichlorotitanium;diphenylmethylbenzene has a molecular weight of 362.10 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;diphenylmethylbenzene is sourced from PubChem (CID 78065476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).