benzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide

C33H28Hf — CID 140841126

IUPACbenzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide
SMILESCc1ccc2[cH-]c3ccc(C)cc3c2c1.[C-]1=CC=CC1.[Hf+2]=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13.C13H10.C5H5.Hf/c1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-4-5-3-1;/h3-9H,1-2H3;1-10H;1-3H,4H2;/q-1;;-1;+2
InChIKeyFEPIRHMCTMKIBB-UHFFFAOYSA-N
MW603.08 g/mol
LogP8.44
Rot. Bonds2

About benzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide

benzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide (PubChem CID 140841126) has the molecular formula C33H28Hf and a molecular weight of 603.08 g/mol. Its IUPAC name is benzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide.

Molecular Properties

Compound Namebenzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide
PubChem CID140841126
Molecular FormulaC33H28Hf
Molecular Weight603.08 g/mol
Exact Mass604.17
IUPAC Namebenzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide
SMILESCc1ccc2[cH-]c3ccc(C)cc3c2c1.[C-]1=CC=CC1.[Hf+2]=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13.C13H10.C5H5.Hf/c1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-4-5-3-1;/h3-9H,1-2H3;1-10H;1-3H,4H2;/q-1;;-1;+2
InChIKeyFEPIRHMCTMKIBB-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.08
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride
CID 87337244
bis(3-methylphenyl)methylidenezirconium(2+);cyclopenta-1,3-diene;3,6-ditert-butyl-9H-fluoren-9-ide;dihydrochloride
CID 87161721
benzhydrylidenetitanium(2+);cyclopenta-1,3-diene;3,6-diphenyl-9H-fluoren-9-ide;dichloride
CID 87146875
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 23363370
cyclopenta-1,3-diene;9H-fluoren-9-ide;1-phenylethylidenezirconium(2+);dihydrochloride
CID 87902194
[(3-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+);cyclopenta-1,3-diene;3,6-ditert-butyl-9H-fluoren-9-ide
CID 87678893
cyclopenta-1,3-diene;3,6-ditert-butyl-9H-fluoren-9-ide;1,2-diphenylethylidenezirconium(2+);dihydrochloride
CID 89103873
[(3-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+);cyclopenta-1,3-diene;3,6-ditert-butyl-9H-fluoren-9-ide;dichloride
CID 87101964
cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)
CID 173138185
cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
CID 87101437
cyclopenta-1,3-diene;3,6-ditert-butyl-9H-fluoren-9-ide;[(4-ethylphenyl)-phenylmethylidene]zirconium(2+);dichloride
CID 87775198
cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)
CID 173221097

Frequently Asked Questions

What is the IUPAC name of benzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide?
The IUPAC name of benzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide (CID 140841126) is benzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide.
What is the SMILES notation for benzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide?
The canonical SMILES for benzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide is Cc1ccc2[cH-]c3ccc(C)cc3c2c1.[C-]1=CC=CC1.[Hf+2]=C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide?
The InChIKey is FEPIRHMCTMKIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13.C13H10.C5H5.Hf/c1-10-3-5-12-9-13-6-4-11(2)8-15(13)14(12)7-10;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-4-5-3-1;/h3-9H,1-2H3;1-10H;1-3H,4H2;/q-1;;-1;+2.
What are the key properties of benzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide?
benzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide has a molecular weight of 603.08 g/mol, XLogP of 8.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidenehafnium(2+);cyclopenta-1,3-diene;3,6-dimethyl-9H-fluoren-9-ide is sourced from PubChem (CID 140841126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).