bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride

C27H20Cl2Ti-2 — CID 87903661

IUPACbis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride
SMILESC=[Ti+2].[C-]1=C2C=CC=CC2c2ccccc21.[C-]1=C2C=CC=CC2c2ccccc21.[Cl-].[Cl-]
InChIInChI=1S/2C13H9.CH2.2ClH.Ti/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h2*1-8,12H;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyIZCJUCCIPOQHPG-UHFFFAOYSA-L
MW463.23 g/mol
LogP-0.05
Rot. Bonds

About bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride

bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride (PubChem CID 87903661) has the molecular formula C27H20Cl2Ti-2 and a molecular weight of 463.23 g/mol. Its IUPAC name is bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride.

Molecular Properties

Compound Namebis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride
PubChem CID87903661
Molecular FormulaC27H20Cl2Ti-2
Molecular Weight463.23 g/mol
Exact Mass462.04
IUPAC Namebis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride
SMILESC=[Ti+2].[C-]1=C2C=CC=CC2c2ccccc21.[C-]1=C2C=CC=CC2c2ccccc21.[Cl-].[Cl-]
InChIInChI=1S/2C13H9.CH2.2ClH.Ti/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h2*1-8,12H;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyIZCJUCCIPOQHPG-UHFFFAOYSA-L
XLogP-0.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.23
LogP ≤ 5-0.05
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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Frequently Asked Questions

What is the IUPAC name of bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride?
The IUPAC name of bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride (CID 87903661) is bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride.
What is the SMILES notation for bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride?
The canonical SMILES for bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride is C=[Ti+2].[C-]1=C2C=CC=CC2c2ccccc21.[C-]1=C2C=CC=CC2c2ccccc21.[Cl-].[Cl-].
What is the InChIKey of bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride?
The InChIKey is IZCJUCCIPOQHPG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H9.CH2.2ClH.Ti/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h2*1-8,12H;1H2;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride?
bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride has a molecular weight of 463.23 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride is sourced from PubChem (CID 87903661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).