cyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide

C43H64Zr — CID 140528866

IUPACcyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide
SMILESCC(C)(C)c1[c-]c2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(C(C)(C)C)cc1C2.CCCCC(=[Zr+2])CCCC.[C-]1=CC=CC1
InChIInChI=1S/C29H41.C9H18.C5H5.Zr/c1-26(2,3)22-14-18-13-19-15-23(27(4,5)6)25(29(10,11)12)17-21(19)20(18)16-24(22)28(7,8)9;1-3-5-7-9-8-6-4-2;1-2-4-5-3-1;/h14,16-17H,13H2,1-12H3;3-8H2,1-2H3;1-3H,4H2;/q-1;;-1;+2
InChIKeyXVFBYSDIXRUVDR-UHFFFAOYSA-N
MW672.21 g/mol
LogP12.64
Rot. Bonds6

About cyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide

cyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide (PubChem CID 140528866) has the molecular formula C43H64Zr and a molecular weight of 672.21 g/mol. Its IUPAC name is cyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide
PubChem CID140528866
Molecular FormulaC43H64Zr
Molecular Weight672.21 g/mol
Exact Mass670.41
IUPAC Namecyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide
SMILESCC(C)(C)c1[c-]c2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(C(C)(C)C)cc1C2.CCCCC(=[Zr+2])CCCC.[C-]1=CC=CC1
InChIInChI=1S/C29H41.C9H18.C5H5.Zr/c1-26(2,3)22-14-18-13-19-15-23(27(4,5)6)25(29(10,11)12)17-21(19)20(18)16-24(22)28(7,8)9;1-3-5-7-9-8-6-4-2;1-2-4-5-3-1;/h14,16-17H,13H2,1-12H3;3-8H2,1-2H3;1-3H,4H2;/q-1;;-1;+2
InChIKeyXVFBYSDIXRUVDR-UHFFFAOYSA-N
XLogP12.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.21
LogP ≤ 512.64
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;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-chlorophenyl)-phenylmethylidene]zirconium(2+);cyclopenta-1,3-diene;2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride
CID 87102020
cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride
CID 87448115
(4-chlorophenyl)methylidenezirconium(2+);cyclopenta-1,3-diene;2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride
CID 87932019
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 87195839
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;2,6-dimethylheptan-4-ylidenezirconium(2+)
CID 140528783
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide;1,5-diphenylpentan-3-ylidenezirconium(2+)
CID 140528743
cyclopenta-1,3-diene;2,7-dimethyl-3,6-bis(2-methyl-2-phenylhexan-3-yl)-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+);dichloride
CID 87101905
bis(4-methylphenyl)methylidenezirconium(2+);2-(2-methylbutan-2-yl)cyclopenta-1,3-diene;2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride
CID 87447991
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 87448124
cyclopentene;1,3-diphenylpropan-2-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride
CID 158423922
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-bis(2-methylphenyl)-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 87249229
butane;cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide;methylidenezirconium;dihydrochloride
CID 87754634

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide?
The IUPAC name of cyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide (CID 140528866) is cyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide.
What is the SMILES notation for cyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide?
The canonical SMILES for cyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide is CC(C)(C)c1[c-]c2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(C(C)(C)C)cc1C2.CCCCC(=[Zr+2])CCCC.[C-]1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide?
The InChIKey is XVFBYSDIXRUVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41.C9H18.C5H5.Zr/c1-26(2,3)22-14-18-13-19-15-23(27(4,5)6)25(29(10,11)12)17-21(19)20(18)16-24(22)28(7,8)9;1-3-5-7-9-8-6-4-2;1-2-4-5-3-1;/h14,16-17H,13H2,1-12H3;3-8H2,1-2H3;1-3H,4H2;/q-1;;-1;+2.
What are the key properties of cyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide?
cyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide has a molecular weight of 672.21 g/mol, XLogP of 12.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;nonan-5-ylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide is sourced from PubChem (CID 140528866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).