benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride

C34H36Cl2SiZr-4 — CID 173237892

IUPACbenzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
SMILESCC(C)(C)c1[c-]c2c(cc1)-c1ccccc1C2.Cl.Cl.[C-]1=CC=CC1.[SiH2]=[Zr].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C17H17.2C6H5.C5H5.2ClH.H2Si.Zr/c1-17(2,3)14-8-9-16-13(11-14)10-12-6-4-5-7-15(12)16;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;;;/h4-9H,10H2,1-3H3;2*1-5H;1-3H,4H2;2*1H;1H2;/q4*-1;;;;
InChIKeyKXCSYYZXNMZTEW-UHFFFAOYSA-N
MW634.88 g/mol
LogP8.56
Rot. Bonds

About benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride

benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride (PubChem CID 173237892) has the molecular formula C34H36Cl2SiZr-4 and a molecular weight of 634.88 g/mol. Its IUPAC name is benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride.

Molecular Properties

Compound Namebenzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
PubChem CID173237892
Molecular FormulaC34H36Cl2SiZr-4
Molecular Weight634.88 g/mol
Exact Mass632.10
IUPAC Namebenzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride
SMILESCC(C)(C)c1[c-]c2c(cc1)-c1ccccc1C2.Cl.Cl.[C-]1=CC=CC1.[SiH2]=[Zr].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C17H17.2C6H5.C5H5.2ClH.H2Si.Zr/c1-17(2,3)14-8-9-16-13(11-14)10-12-6-4-5-7-15(12)16;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;;;/h4-9H,10H2,1-3H3;2*1-5H;1-3H,4H2;2*1H;1H2;/q4*-1;;;;
InChIKeyKXCSYYZXNMZTEW-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.88
LogP ≤ 58.56
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

benzene;cyclopenta-1,3-diene;2-methoxy-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
CID 173272032
cyclopenta-1,3-diene;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;methylbenzene;silylidenezirconium;dihydrochloride
CID 173157170
bis(tert-butylbenzene);cyclopenta-1,3-diene;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;methylidenezirconium;dihydrochloride
CID 87161351
bis(tert-butylbenzene);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;methylidenezirconium;dihydrochloride
CID 87776098
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;bis(2-methanidylpropane);silylidenezirconium;dihydrochloride
CID 173156970
chlorobenzene;cyclopenta-1,3-diene;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;methylidenezirconium;1H-naphthalen-1-ide;dihydrochloride
CID 87102057
CID 173020337
CID 173020337
butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
CID 173157100
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;disilylidenezirconium;dihydrochloride
CID 173081380
CID 87774976
CID 87774976
bis(cyclopenta-1,3-diene);bis(2,7-ditert-butyl-1,9-dihydrofluoren-1-ide);bis(dimethylsilylidenetitanium(2+));dichloride
CID 22599253
[(4-chlorophenyl)-phenylmethylidene]zirconium(2+);cyclopenta-1,3-diene;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;dichloride
CID 87101599

Frequently Asked Questions

What is the IUPAC name of benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?
The IUPAC name of benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride (CID 173237892) is benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride.
What is the SMILES notation for benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?
The canonical SMILES for benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride is CC(C)(C)c1[c-]c2c(cc1)-c1ccccc1C2.Cl.Cl.[C-]1=CC=CC1.[SiH2]=[Zr].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?
The InChIKey is KXCSYYZXNMZTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17.2C6H5.C5H5.2ClH.H2Si.Zr/c1-17(2,3)14-8-9-16-13(11-14)10-12-6-4-5-7-15(12)16;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;;;/h4-9H,10H2,1-3H3;2*1-5H;1-3H,4H2;2*1H;1H2;/q4*-1;;;;.
What are the key properties of benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride?
benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride has a molecular weight of 634.88 g/mol, XLogP of 8.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-tert-butyl-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;silylidenezirconium;dihydrochloride is sourced from PubChem (CID 173237892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).