dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene

C22H22Cl2Zr — CID 169048347

IUPACdichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCc1[cH-]c(C)c(C)c1C.Cl[Zr+2]Cl.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C9H13.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-5-7(2)9(4)8(6)3;;;/h1-9H;5H,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyAJROKQSNTLOSTA-UHFFFAOYSA-L
MW448.55 g/mol
LogP7.73
Rot. Bonds

About dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene

dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 169048347) has the molecular formula C22H22Cl2Zr and a molecular weight of 448.55 g/mol. Its IUPAC name is dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namedichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID169048347
Molecular FormulaC22H22Cl2Zr
Molecular Weight448.55 g/mol
Exact Mass446.01
IUPAC Namedichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCc1[cH-]c(C)c(C)c1C.Cl[Zr+2]Cl.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C9H13.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-5-7(2)9(4)8(6)3;;;/h1-9H;5H,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyAJROKQSNTLOSTA-UHFFFAOYSA-L
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.55
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene 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

CID 173104995
CID 173104995
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+)
CID 161032524
CID 173225769
CID 173225769
CID 173057300
CID 173057300
dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)
CID 87673225
bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride
CID 22672381
lithium 1,2-dimethyl-9H-fluoren-9-ide
CID 175514215
cyclopenta-1,3-diene;dichloro(dimethylsilylidene)hafnium;9H-fluoren-9-ide
CID 174047741
CID 173271921
CID 173271921
CID 172782986
CID 172782986
2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)
CID 161494511

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 169048347) is dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene is Cc1[cH-]c(C)c(C)c1C.Cl[Zr+2]Cl.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is AJROKQSNTLOSTA-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C9H13.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-5-7(2)9(4)8(6)3;;;/h1-9H;5H,1-4H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene?
dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene has a molecular weight of 448.55 g/mol, XLogP of 7.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 169048347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).