carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)

C32H40F2O2SiZr-4 — CID 173157219

IUPACcarbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
SMILESOc1ccc(F)cc1.Oc1ccc(F)cc1.[CH3-].[CH3-].[SiH2]=[Zr].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.2C6H5FO.2CH3.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*7-5-1-3-6(8)4-2-5;;;;/h2*3,6-7H,1-2,4-5H2;2*1-4,8H;2*1H3;1H2;/q2*-1;;;2*-1;;
InChIKeyXTLQMBLOEBTFBG-UHFFFAOYSA-N
MW613.98 g/mol
LogP7.61
Rot. Bonds

About carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)

carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide) (PubChem CID 173157219) has the molecular formula C32H40F2O2SiZr-4 and a molecular weight of 613.98 g/mol. Its IUPAC name is carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide).

Molecular Properties

Compound Namecarbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
PubChem CID173157219
Molecular FormulaC32H40F2O2SiZr-4
Molecular Weight613.98 g/mol
Exact Mass612.18
IUPAC Namecarbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
SMILESOc1ccc(F)cc1.Oc1ccc(F)cc1.[CH3-].[CH3-].[SiH2]=[Zr].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.2C6H5FO.2CH3.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*7-5-1-3-6(8)4-2-5;;;;/h2*3,6-7H,1-2,4-5H2;2*1-4,8H;2*1H3;1H2;/q2*-1;;;2*-1;;
InChIKeyXTLQMBLOEBTFBG-UHFFFAOYSA-N
XLogP7.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.98
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide) with MolForge

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Related Compounds

diphenylsilylidenezirconium;1H-inden-1-ide;4-(trifluoromethyl)phenol
CID 18521328
2-Fluoro-4-[9-(3-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 22598161
Cyclopenta-1,3-diene;1,3-dimethylinden-1-ide;bis(2-(trifluoromethyl)phenol);zirconium(2+)
CID 23077058
dibenzylsilylidenezirconium;1H-inden-1-ide;4-(trifluoromethyl)phenol
CID 23077067
3-Fluoro-4-[9-(2-fluoro-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 68635919
4-[1,2-Difluoro-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
CID 71280589
2,3-Difluoro-4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
CID 71280590
cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);1H-inden-1-ide;bis(4-(trifluoromethyl)phenol)
CID 87775567
CID 87775568
CID 87775568
bis(1H-inden-1-id-2-yl)-diphenylsilane;bis(4-(trifluoromethyl)phenol);zirconium(2+)
CID 87775571
cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenezirconium(2+);bis(4-(trifluoromethyl)phenol)
CID 87775572
diphenylsilylidenezirconium(2+);1H-inden-1-ide;4-(trifluoromethyl)phenol
CID 87775573

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)?
The IUPAC name of carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide) (CID 173157219) is carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide).
What is the SMILES notation for carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)?
The canonical SMILES for carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide) is Oc1ccc(F)cc1.Oc1ccc(F)cc1.[CH3-].[CH3-].[SiH2]=[Zr].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2.
What is the InChIKey of carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)?
The InChIKey is XTLQMBLOEBTFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11.2C6H5FO.2CH3.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*7-5-1-3-6(8)4-2-5;;;;/h2*3,6-7H,1-2,4-5H2;2*1-4,8H;2*1H3;1H2;/q2*-1;;;2*-1;;.
What are the key properties of carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)?
carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide) has a molecular weight of 613.98 g/mol, XLogP of 7.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(4-fluorophenol);silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide) is sourced from PubChem (CID 173157219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).