2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+)

C27H27Zr — CID 151556902

IUPAC2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+)
SMILESC[c-]1cccc1.C[c-]1cccc1.Cc1[c-]c2c(cc1C)-c1ccccc1C2.[Zr+3]
InChIInChI=1S/C15H13.2C6H7.Zr/c1-10-7-13-9-12-5-3-4-6-14(12)15(13)8-11(10)2;2*1-6-4-2-3-5-6;/h3-6,8H,9H2,1-2H3;2*2-5H,1H3;/q3*-1;+3
InChIKeyPJEPHLVTDQRCQO-UHFFFAOYSA-N
MW442.74 g/mol
LogP7.10
Rot. Bonds

About 2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+)

2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+) (PubChem CID 151556902) has the molecular formula C27H27Zr and a molecular weight of 442.74 g/mol. Its IUPAC name is 2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+).

Molecular Properties

Compound Name2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+)
PubChem CID151556902
Molecular FormulaC27H27Zr
Molecular Weight442.74 g/mol
Exact Mass441.12
IUPAC Name2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+)
SMILESC[c-]1cccc1.C[c-]1cccc1.Cc1[c-]c2c(cc1C)-c1ccccc1C2.[Zr+3]
InChIInChI=1S/C15H13.2C6H7.Zr/c1-10-7-13-9-12-5-3-4-6-14(12)15(13)8-11(10)2;2*1-6-4-2-3-5-6;/h3-6,8H,9H2,1-2H3;2*2-5H,1H3;/q3*-1;+3
InChIKeyPJEPHLVTDQRCQO-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.74
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+) with MolForge

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Related Compounds

bis(2,3-dimethoxy-1,9-dihydrofluoren-1-ide);titanium(2+)
CID 87295952
bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
CID 87200949
tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
CID 18469369
2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;ethene;5-methylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 160540269
methanol;2-methyl-1,9-dihydrofluoren-1-ide;titanium
CID 174331013
2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)
CID 87704393
dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)
CID 87824196
ethanamine;9H-fluorene
CID 158316259
cyclopenta-1,3-diene;2-(4-fluorophenyl)-3-methyl-1,9-dihydrofluoren-1-ide;methylidenezirconium(2+);dichloride
CID 159682527
cyclohexylidenezirconium;bis(2-cyclopenta-1,3-dien-1-yl-3-methyl-1,9-dihydrofluoren-1-ide);dichloride
CID 18785412
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
bis(4-methylphenyl)methylidenezirconium(2+);3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;5-methylcyclopenta-1,3-diene;dichloride
CID 157264256

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+)?
The IUPAC name of 2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+) (CID 151556902) is 2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+).
What is the SMILES notation for 2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+)?
The canonical SMILES for 2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+) is C[c-]1cccc1.C[c-]1cccc1.Cc1[c-]c2c(cc1C)-c1ccccc1C2.[Zr+3].
What is the InChIKey of 2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+)?
The InChIKey is PJEPHLVTDQRCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13.2C6H7.Zr/c1-10-7-13-9-12-5-3-4-6-14(12)15(13)8-11(10)2;2*1-6-4-2-3-5-6;/h3-6,8H,9H2,1-2H3;2*2-5H,1H3;/q3*-1;+3.
What are the key properties of 2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+)?
2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+) has a molecular weight of 442.74 g/mol, XLogP of 7.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,9-dihydrofluoren-1-ide;bis(5-methylcyclopenta-1,3-diene);zirconium(3+) is sourced from PubChem (CID 151556902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).