carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride

C20H23Cl2SiZr-3 — CID 173014129

IUPACcarbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
SMILESCl.Cl.[CH3-].[CH3-].[SiH2]=[Zr].[c-]1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H13.2CH3.2ClH.H2Si.Zr/c1-2-6-13(5-1)14-9-10-18-16(11-14)12-15-7-3-4-8-17(15)18;;;;;;/h1-5,7-10H,6,12H2;2*1H3;2*1H;1H2;/q3*-1;;;;
InChIKeyXPRHNIAHCOLUJF-UHFFFAOYSA-N
MW453.62 g/mol
LogP5.23
Rot. Bonds1

About carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride

carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride (PubChem CID 173014129) has the molecular formula C20H23Cl2SiZr-3 and a molecular weight of 453.62 g/mol. Its IUPAC name is carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride.

Molecular Properties

Compound Namecarbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
PubChem CID173014129
Molecular FormulaC20H23Cl2SiZr-3
Molecular Weight453.62 g/mol
Exact Mass451.00
IUPAC Namecarbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
SMILESCl.Cl.[CH3-].[CH3-].[SiH2]=[Zr].[c-]1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H13.2CH3.2ClH.H2Si.Zr/c1-2-6-13(5-1)14-9-10-18-16(11-14)12-15-7-3-4-8-17(15)18;;;;;;/h1-5,7-10H,6,12H2;2*1H3;2*1H;1H2;/q3*-1;;;;
InChIKeyXPRHNIAHCOLUJF-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.62
LogP ≤ 55.23
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-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride
CID 87531949
cyclohexylidenezirconium;bis(2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide);dichloride
CID 18785407
CID 173060795
CID 173060795
cyclohexylidenezirconium;bis(2-cyclopenta-1,3-dien-1-yl-3-methyl-1,9-dihydrofluoren-1-ide);dichloride
CID 18785412
tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
CID 18469369
bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
CID 87200949
2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
CID 21254346
methanol;2-methyl-1,9-dihydrofluoren-1-ide;titanium
CID 174331013
benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
CID 173237892
butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride
CID 173260999
benzene;cyclopenta-1,3-diene;2-methoxy-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
CID 173272032
2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)
CID 87704393

Frequently Asked Questions

What is the IUPAC name of carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride?
The IUPAC name of carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride (CID 173014129) is carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride.
What is the SMILES notation for carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride?
The canonical SMILES for carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride is Cl.Cl.[CH3-].[CH3-].[SiH2]=[Zr].[c-]1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2.
What is the InChIKey of carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride?
The InChIKey is XPRHNIAHCOLUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13.2CH3.2ClH.H2Si.Zr/c1-2-6-13(5-1)14-9-10-18-16(11-14)12-15-7-3-4-8-17(15)18;;;;;;/h1-5,7-10H,6,12H2;2*1H3;2*1H;1H2;/q3*-1;;;;.
What are the key properties of carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride?
carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride has a molecular weight of 453.62 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride is sourced from PubChem (CID 173014129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).