butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride

C26H36Cl2SiZr-4 — CID 173157100

IUPACbutane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[CH2-]CCC.[CH2-]CCC.[SiH2]=[Zr].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H5.2C4H9.2ClH.H2Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;2*1-3-4-2;;;;/h1-5,7-8H,9H2;1-3H,4H2;2*1,3-4H2,2H3;2*1H;1H2;/q4*-1;;;;
InChIKeyTYZNXMHLCYRNHC-UHFFFAOYSA-N
MW538.79 g/mol
LogP7.53
Rot. Bonds2

About butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride

butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride (PubChem CID 173157100) has the molecular formula C26H36Cl2SiZr-4 and a molecular weight of 538.79 g/mol. Its IUPAC name is butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride.

Molecular Properties

Compound Namebutane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
PubChem CID173157100
Molecular FormulaC26H36Cl2SiZr-4
Molecular Weight538.79 g/mol
Exact Mass536.10
IUPAC Namebutane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
SMILESCl.Cl.[C-]1=CC=CC1.[CH2-]CCC.[CH2-]CCC.[SiH2]=[Zr].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H5.2C4H9.2ClH.H2Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;2*1-3-4-2;;;;/h1-5,7-8H,9H2;1-3H,4H2;2*1,3-4H2,2H3;2*1H;1H2;/q4*-1;;;;
InChIKeyTYZNXMHLCYRNHC-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.79
LogP ≤ 57.53
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

cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;bis(2-methanidylpropane);silylidenezirconium;dihydrochloride
CID 173156970
butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride
CID 173260999
CID 173302368
CID 173302368
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium;dihydrochloride
CID 87101265
dilithium;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide
CID 19418222
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)
CID 23102965
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;disilylidenezirconium;dihydrochloride
CID 173081380
CID 173313985
CID 173313985
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium
CID 173267556
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;methylidenetitanium
CID 21256054
butane;1,9-dihydrofluoren-1-ide;titanium(4+)
CID 150363800
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride
CID 18316822

Frequently Asked Questions

What is the IUPAC name of butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride?
The IUPAC name of butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride (CID 173157100) is butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride.
What is the SMILES notation for butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride?
The canonical SMILES for butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride is Cl.Cl.[C-]1=CC=CC1.[CH2-]CCC.[CH2-]CCC.[SiH2]=[Zr].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride?
The InChIKey is TYZNXMHLCYRNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C5H5.2C4H9.2ClH.H2Si.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;2*1-3-4-2;;;;/h1-5,7-8H,9H2;1-3H,4H2;2*1,3-4H2,2H3;2*1H;1H2;/q4*-1;;;;.
What are the key properties of butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride?
butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride has a molecular weight of 538.79 g/mol, XLogP of 7.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride is sourced from PubChem (CID 173157100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).