bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride

C70H64Cl2Ti2-2 — CID 22672381

IUPACbis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride
SMILESCc1[cH-]c2ccccc2c1C.Cc1[cH-]c2ccccc2c1C.Cc1[cH-]c2ccccc2c1C.Cc1[cH-]c2ccccc2c1C.[Cl-].[Cl-].[Ti+2]=C(c1ccccc1)c1ccccc1.[Ti+2]=C(c1ccccc1)c1ccccc1
InChIInChI=1S/2C13H10.4C11H11.2ClH.2Ti/c2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;4*1-8-7-10-5-3-4-6-11(10)9(8)2;;;;/h2*1-10H;4*3-7H,1-2H3;2*1H;;/q;;4*-1;;;2*+2/p-2
InChIKeyLJCGXCJQTOGJEC-UHFFFAOYSA-L
MW1071.92 g/mol
LogP12.31
Rot. Bonds4

About bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride

bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride (PubChem CID 22672381) has the molecular formula C70H64Cl2Ti2-2 and a molecular weight of 1071.92 g/mol. Its IUPAC name is bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namebis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride
PubChem CID22672381
Molecular FormulaC70H64Cl2Ti2-2
Molecular Weight1071.92 g/mol
Exact Mass1070.34
IUPAC Namebis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride
SMILESCc1[cH-]c2ccccc2c1C.Cc1[cH-]c2ccccc2c1C.Cc1[cH-]c2ccccc2c1C.Cc1[cH-]c2ccccc2c1C.[Cl-].[Cl-].[Ti+2]=C(c1ccccc1)c1ccccc1.[Ti+2]=C(c1ccccc1)c1ccccc1
InChIInChI=1S/2C13H10.4C11H11.2ClH.2Ti/c2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;4*1-8-7-10-5-3-4-6-11(10)9(8)2;;;;/h2*1-10H;4*3-7H,1-2H3;2*1H;;/q;;4*-1;;;2*+2/p-2
InChIKeyLJCGXCJQTOGJEC-UHFFFAOYSA-L
XLogP12.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.92
LogP ≤ 512.31
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

carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+)
CID 161032524
2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)
CID 161494511
CID 172782986
CID 172782986
benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride
CID 160997041
dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 169048347
3-methyl-2-[2-(3-methyl-1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium(4+);dichloride
CID 22601087
CID 87865557
CID 87865557
benzhydrylidenetitanium(2+);bis(2-methylcyclopenta-1,3-diene);dichloride
CID 22672455
benzhydrylidenezirconium;cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 159016680
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
bis(benzhydrylidenezirconium(2+));bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);difluoride
CID 18365689
9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride
CID 87146509

Frequently Asked Questions

What is the IUPAC name of bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride?
The IUPAC name of bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride (CID 22672381) is bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride.
What is the SMILES notation for bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride?
The canonical SMILES for bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride is Cc1[cH-]c2ccccc2c1C.Cc1[cH-]c2ccccc2c1C.Cc1[cH-]c2ccccc2c1C.Cc1[cH-]c2ccccc2c1C.[Cl-].[Cl-].[Ti+2]=C(c1ccccc1)c1ccccc1.[Ti+2]=C(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride?
The InChIKey is LJCGXCJQTOGJEC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H10.4C11H11.2ClH.2Ti/c2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;4*1-8-7-10-5-3-4-6-11(10)9(8)2;;;;/h2*1-10H;4*3-7H,1-2H3;2*1H;;/q;;4*-1;;;2*+2/p-2.
What are the key properties of bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride?
bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride has a molecular weight of 1071.92 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 22672381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).