bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride

C28H22Cl2Ti — CID 87200949

IUPACbis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
SMILESCc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C14H11.2ClH.Ti/c2*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;;;/h2*2-7H,9H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyVHCLLPXPEJOYGJ-UHFFFAOYSA-L
MW477.26 g/mol
LogP0.74
Rot. Bonds

About bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride

bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride (PubChem CID 87200949) has the molecular formula C28H22Cl2Ti and a molecular weight of 477.26 g/mol. Its IUPAC name is bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride.

Molecular Properties

Compound Namebis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
PubChem CID87200949
Molecular FormulaC28H22Cl2Ti
Molecular Weight477.26 g/mol
Exact Mass476.06
IUPAC Namebis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
SMILESCc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C14H11.2ClH.Ti/c2*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;;;/h2*2-7H,9H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyVHCLLPXPEJOYGJ-UHFFFAOYSA-L
XLogP0.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.26
LogP ≤ 50.74
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

tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
CID 18469369
methanol;2-methyl-1,9-dihydrofluoren-1-ide;titanium
CID 174331013
2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)
CID 87704393
dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)
CID 87824196
CID 173312572
CID 173312572
CID 173312560
CID 173312560
bis(2,7-ditert-butyl-4-methyl-1,9-dihydrofluoren-1-ide);bis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(4+));tetrachloride
CID 161372658
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
lithium 2-cyclopenta-2,4-dien-1-yl-1,9-dihydrofluoren-1-ide
CID 161283415

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride?
The IUPAC name of bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride (CID 87200949) is bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride.
What is the SMILES notation for bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride?
The canonical SMILES for bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride is Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride?
The InChIKey is VHCLLPXPEJOYGJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H11.2ClH.Ti/c2*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;;;/h2*2-7H,9H2,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride?
bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride has a molecular weight of 477.26 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride is sourced from PubChem (CID 87200949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).