cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide

C35H30Zr — CID 173272622

IUPACcyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide
SMILES[C-]1=CC=CC1.[Zr+2]=C1CCCC1.c1ccc(-c2ccc3c(c2)[cH-]c2cc(-c4ccccc4)ccc23)cc1
InChIInChI=1S/C25H17.C5H8.C5H5.Zr/c1-3-7-18(8-4-1)20-11-13-24-22(15-20)17-23-16-21(12-14-25(23)24)19-9-5-2-6-10-19;2*1-2-4-5-3-1;/h1-17H;1-4H2;1-3H,4H2;/q-1;;-1;+2
InChIKeyFDZUIKKUNWWKDV-UHFFFAOYSA-N
MW541.85 g/mol
LogP9.63
Rot. Bonds2

About cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide

cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide (PubChem CID 173272622) has the molecular formula C35H30Zr and a molecular weight of 541.85 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide
PubChem CID173272622
Molecular FormulaC35H30Zr
Molecular Weight541.85 g/mol
Exact Mass540.14
IUPAC Namecyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide
SMILES[C-]1=CC=CC1.[Zr+2]=C1CCCC1.c1ccc(-c2ccc3c(c2)[cH-]c2cc(-c4ccccc4)ccc23)cc1
InChIInChI=1S/C25H17.C5H8.C5H5.Zr/c1-3-7-18(8-4-1)20-11-13-24-22(15-20)17-23-16-21(12-14-25(23)24)19-9-5-2-6-10-19;2*1-2-4-5-3-1;/h1-17H;1-4H2;1-3H,4H2;/q-1;;-1;+2
InChIKeyFDZUIKKUNWWKDV-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.85
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide with MolForge

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Related Compounds

cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 87137180
cyclobutylidenezirconium(2+);cyclopenta-1,3-diene;3,6-dibenzyl-9H-fluoren-9-ide
CID 173203326
cyclobutylidenezirconium(2+);cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-diphenyl-9H-fluoren-9-ide;dichloride
CID 87102160
benzhydrylidenetitanium(2+);cyclopenta-1,3-diene;3,6-diphenyl-9H-fluoren-9-ide;dichloride
CID 87146875
cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);3,6-diphenyl-1,9-dihydrofluoren-1-ide
CID 173203085
cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;3,6-dibromo-9H-fluoren-9-ide;dichloride
CID 87776287
bis(1,1'-biphenyl);cyclopenta-1,3-diene;iron
CID 173207547
1,1'-biphenyl;bis(cyclopenta-1,3-diene);zirconium(2+)
CID 158996763
cyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide
CID 87924727
carbanide;cyclohexylidenetitanium;cyclopenta-1,3-diene;9H-fluoren-9-ide
CID 173290394
cyclopenta-1,3-diene;9H-fluoren-9-ide;methylidenezirconium(2+);dichloride
CID 87327978
cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)
CID 173138185

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide?
The IUPAC name of cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide (CID 173272622) is cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide?
The canonical SMILES for cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide is [C-]1=CC=CC1.[Zr+2]=C1CCCC1.c1ccc(-c2ccc3c(c2)[cH-]c2cc(-c4ccccc4)ccc23)cc1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide?
The InChIKey is FDZUIKKUNWWKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17.C5H8.C5H5.Zr/c1-3-7-18(8-4-1)20-11-13-24-22(15-20)17-23-16-21(12-14-25(23)24)19-9-5-2-6-10-19;2*1-2-4-5-3-1;/h1-17H;1-4H2;1-3H,4H2;/q-1;;-1;+2.
What are the key properties of cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide?
cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide has a molecular weight of 541.85 g/mol, XLogP of 9.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);2,7-diphenyl-9H-fluoren-9-ide is sourced from PubChem (CID 173272622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).