bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride

C38H32Cl2Ti2-2 — CID 22672391

IUPACbis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+2].[Ti+2].c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/2C13H9.2C6H7.2ClH.2Ti/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-6-4-2-3-5-6;;;;/h2*1-9H;2*2,4H,3H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyTYRZXUJJJTUYPH-UHFFFAOYSA-L
MW655.31 g/mol
LogP4.82
Rot. Bonds

About bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride

bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride (PubChem CID 22672391) has the molecular formula C38H32Cl2Ti2-2 and a molecular weight of 655.31 g/mol. Its IUPAC name is bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride.

Molecular Properties

Compound Namebis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride
PubChem CID22672391
Molecular FormulaC38H32Cl2Ti2-2
Molecular Weight655.31 g/mol
Exact Mass654.09
IUPAC Namebis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+2].[Ti+2].c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/2C13H9.2C6H7.2ClH.2Ti/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-6-4-2-3-5-6;;;;/h2*1-9H;2*2,4H,3H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyTYRZXUJJJTUYPH-UHFFFAOYSA-L
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500655.31
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride with MolForge

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Related Compounds

9H-fluoren-9-ide;2-methylcyclopenta-1,3-diene;propan-2-ylidenetitanium(2+);dichloride
CID 87146509
bis(2-butylcyclopenta-1,3-diene);bis(9H-fluoren-9-ide);bis(titanium(2+));dichloride
CID 22672345
cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;zirconium(2+)
CID 174666517
bis(2-methylcyclopenta-1,3-diene);zirconium(2+);chloride
CID 22619663
manganese(2+);2-methylcyclopenta-1,3-diene;chloride
CID 23039190
1H-inden-1-ide;2-methylcyclopenta-1,3-diene;titanium(4+);dichloride
CID 87200879
carbanide;2-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 174253848
chromium;2-methylcyclopenta-1,3-diene
CID 173304853
hafnium;2-methylcyclopenta-1,3-diene
CID 173074070
2-methylcyclopenta-1,3-diene;scandium
CID 174626316
manganese;2-methylcyclopenta-1,3-diene
CID 67103355
bis(benzhydrylidenezirconium(2+));bis(2,7-ditert-butyl-9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);dichloride
CID 23032086

Frequently Asked Questions

What is the IUPAC name of bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride?
The IUPAC name of bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride (CID 22672391) is bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride.
What is the SMILES notation for bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride?
The canonical SMILES for bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride is CC1=[C-]CC=C1.CC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+2].[Ti+2].c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride?
The InChIKey is TYRZXUJJJTUYPH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H9.2C6H7.2ClH.2Ti/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-6-4-2-3-5-6;;;;/h2*1-9H;2*2,4H,3H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2.
What are the key properties of bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride?
bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride has a molecular weight of 655.31 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);bis(titanium(2+));dichloride is sourced from PubChem (CID 22672391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).