2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride

C24H28Cl2SiTi-2 — CID 87676553

IUPAC2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride
SMILESCCC1=[C-]C(CC)C=C1.C[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C9H13.C2H6Si.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-8-5-6-9(4-2)7-8;1-3-2;;;/h1-9H;5-6,8H,3-4H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyMURLDFJCTQEEHE-UHFFFAOYSA-L
MW463.35 g/mol
LogP1.23
Rot. Bonds2

About 2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride

2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride (PubChem CID 87676553) has the molecular formula C24H28Cl2SiTi-2 and a molecular weight of 463.35 g/mol. Its IUPAC name is 2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride.

Molecular Properties

Compound Name2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride
PubChem CID87676553
Molecular FormulaC24H28Cl2SiTi-2
Molecular Weight463.35 g/mol
Exact Mass462.08
IUPAC Name2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride
SMILESCCC1=[C-]C(CC)C=C1.C[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C9H13.C2H6Si.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-8-5-6-9(4-2)7-8;1-3-2;;;/h1-9H;5-6,8H,3-4H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyMURLDFJCTQEEHE-UHFFFAOYSA-L
XLogP1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,7-ditert-butyl-9H-fluoren-9-ide;2,5-diethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 87774221
[chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 160548859
2,5-dimethylcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenetitanium(2+);dichloride
CID 87675310
bis[(4-chlorophenyl)methylidene]zirconium;2-tert-butyl-3,5-diethylcyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 87465198
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
benzhydrylidenezirconium(2+);2,7-dimethyl-9H-fluoren-9-ide;2,5-dipropylcyclopenta-1,3-diene;dichloride
CID 87111750
dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride
CID 87865793
bis(2-butylcyclopenta-1,3-diene);bis(9H-fluoren-9-ide);bis(titanium(2+));dichloride
CID 22672345
CID 173225769
CID 173225769
11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride
CID 173283865
tert-butyl-(3,4-dimethylcyclopenta-1,4-dien-1-yl)oxy-dimethylsilane;dimethylsilylidenezirconium(2+);9H-fluoren-9-ide;dichloride
CID 162064582
CID 173104995
CID 173104995

Frequently Asked Questions

What is the IUPAC name of 2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride?
The IUPAC name of 2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride (CID 87676553) is 2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride.
What is the SMILES notation for 2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride?
The canonical SMILES for 2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride is CCC1=[C-]C(CC)C=C1.C[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of 2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride?
The InChIKey is MURLDFJCTQEEHE-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C9H13.C2H6Si.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-8-5-6-9(4-2)7-8;1-3-2;;;/h1-9H;5-6,8H,3-4H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride?
2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride has a molecular weight of 463.35 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethylcyclopenta-1,3-diene;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride is sourced from PubChem (CID 87676553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).