1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride

C23H23Cl2Zr — CID 90338737

IUPAC1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride
SMILESCc1ccc2c(c1)=[C-]C1=C(C3=CC=CC3)C(C)(C(C)C)C=CC=21.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C23H23.2ClH.Zr/c1-15(2)23(4)12-11-20-19-10-9-16(3)13-18(19)14-21(20)22(23)17-7-5-6-8-17;;;/h5-7,9-13,15H,8H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeyFMJFYPSLRBESKW-UHFFFAOYSA-L
MW461.57 g/mol
LogP-1.76
Rot. Bonds2

About 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride

1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride (PubChem CID 90338737) has the molecular formula C23H23Cl2Zr and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride
PubChem CID90338737
Molecular FormulaC23H23Cl2Zr
Molecular Weight461.57 g/mol
Exact Mass459.02
IUPAC Name1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride
SMILESCc1ccc2c(c1)=[C-]C1=C(C3=CC=CC3)C(C)(C(C)C)C=CC=21.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C23H23.2ClH.Zr/c1-15(2)23(4)12-11-20-19-10-9-16(3)13-18(19)14-21(20)22(23)17-7-5-6-8-17;;;/h5-7,9-13,15H,8H2,1-4H3;2*1H;/q-1;;;+3/p-2
InChIKeyFMJFYPSLRBESKW-UHFFFAOYSA-L
XLogP-1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 5-1.76
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

Zirconium, dichloro(((1,2,3,4,5-eta)-3-(1,1-dimethylethyl)-2,4-cyclopentadien-1-ylidene)(1-methylethylidene)((1,2,3,3a,7a-eta)-2-methyl-1H-inden-1-ylidene))-
CID 134814661
1,2-Ditert-butyl-6-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-diene
CID 57097428
Bis(tetrahydroindenyl)zirconiumdichloride
CID 129694721
2,3,4,5-Tetrahydro-1,1,2,3,3-pentamethyl-1H-indene
CID 14817845
CID 102600867
CID 102600867
Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)-
CID 102602477
(r)-Bis(1-tetrahydroindenyl)ethane
CID 129777744
2,3-Dihydro-4-methyl-4-methyl-1h-indene
CID 129845676
CID 134991817
CID 134991817
CID 135081454
CID 135081454
CID 135081456
CID 135081456
CID 135081458
CID 135081458

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride (CID 90338737) is 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride is Cc1ccc2c(c1)=[C-]C1=C(C3=CC=CC3)C(C)(C(C)C)C=CC=21.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride?
The InChIKey is FMJFYPSLRBESKW-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H23.2ClH.Zr/c1-15(2)23(4)12-11-20-19-10-9-16(3)13-18(19)14-21(20)22(23)17-7-5-6-8-17;;;/h5-7,9-13,15H,8H2,1-4H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride?
1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride has a molecular weight of 461.57 g/mol, XLogP of -1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2-propan-2-yl-9H-fluoren-9-ide;zirconium(3+);dichloride is sourced from PubChem (CID 90338737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).