cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride

C28H34Cl2Hf — CID 160761527

IUPACcyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride
SMILESCc1[c-]c2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(C)cc1C2.[Cl-].[Cl-].[Hf+4].c1cc[cH-]c1
InChIInChI=1S/C23H29.C5H5.2ClH.Hf/c1-14-9-16-11-17-10-15(2)21(23(6,7)8)13-19(17)18(16)12-20(14)22(3,4)5;1-2-4-5-3-1;;;/h9,12-13H,11H2,1-8H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyUDIDJKKVVNPOFP-UHFFFAOYSA-L
MW619.98 g/mol
LogP1.68
Rot. Bonds

About cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride

cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride (PubChem CID 160761527) has the molecular formula C28H34Cl2Hf and a molecular weight of 619.98 g/mol. Its IUPAC name is cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride
PubChem CID160761527
Molecular FormulaC28H34Cl2Hf
Molecular Weight619.98 g/mol
Exact Mass620.15
IUPAC Namecyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride
SMILESCc1[c-]c2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(C)cc1C2.[Cl-].[Cl-].[Hf+4].c1cc[cH-]c1
InChIInChI=1S/C23H29.C5H5.2ClH.Hf/c1-14-9-16-11-17-10-15(2)21(23(6,7)8)13-19(17)18(16)12-20(14)22(3,4)5;1-2-4-5-3-1;;;/h9,12-13H,11H2,1-8H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyUDIDJKKVVNPOFP-UHFFFAOYSA-L
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.98
LogP ≤ 51.68
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

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CID 172859996
3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;dichlorozirconium
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CID 87195839
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CID 172812875
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bis(4-methylphenyl)methylidenezirconium(2+);3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
CID 87446846
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bis(4-chlorophenyl)methylidenezirconium(2+);cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-bis(2-methylphenyl)-1,9-dihydrofluoren-1-ide;dichloride
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cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;2,6-dimethylheptan-4-ylidenezirconium(2+)
CID 140528783

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride (CID 160761527) is cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride is Cc1[c-]c2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(C)cc1C2.[Cl-].[Cl-].[Hf+4].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride?
The InChIKey is UDIDJKKVVNPOFP-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H29.C5H5.2ClH.Hf/c1-14-9-16-11-17-10-15(2)21(23(6,7)8)13-19(17)18(16)12-20(14)22(3,4)5;1-2-4-5-3-1;;;/h9,12-13H,11H2,1-8H3;1-5H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride?
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride has a molecular weight of 619.98 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride is sourced from PubChem (CID 160761527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).