benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride

C35H30Cl2Zr-4 — CID 173264018

IUPACbenzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride
SMILESC.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2].[c-]1ccccc1.[c-]1ccccc1.c1ccc2c(c1)ccc1[cH-]c3ccccc3c12
InChIInChI=1S/C17H11.2C6H5.C5H5.CH4.2ClH.Zr/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;;;/h1-11H;2*1-5H;1-3H,4H2;1H4;2*1H;/q4*-1;;;;+2/p-2
InChIKeyTWKPXOMJEODVSI-UHFFFAOYSA-L
MW612.76 g/mol
LogP3.79
Rot. Bonds

About benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride

benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride (PubChem CID 173264018) has the molecular formula C35H30Cl2Zr-4 and a molecular weight of 612.76 g/mol. Its IUPAC name is benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride.

Molecular Properties

Compound Namebenzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride
PubChem CID173264018
Molecular FormulaC35H30Cl2Zr-4
Molecular Weight612.76 g/mol
Exact Mass610.08
IUPAC Namebenzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride
SMILESC.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2].[c-]1ccccc1.[c-]1ccccc1.c1ccc2c(c1)ccc1[cH-]c3ccccc3c12
InChIInChI=1S/C17H11.2C6H5.C5H5.CH4.2ClH.Zr/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;;;/h1-11H;2*1-5H;1-3H,4H2;1H4;2*1H;/q4*-1;;;;+2/p-2
InChIKeyTWKPXOMJEODVSI-UHFFFAOYSA-L
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.76
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride 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

benzene;but-1-ene;cyclopenta-1,3-diene;9H-fluoren-9-ide;methane;zirconium(2+);dichloride
CID 173198709
cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
CID 87101437
cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride
CID 86749727
cyclopenta-1,3-diene;9H-fluoren-9-ide;methylidenezirconium(2+);dichloride
CID 87327978
aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride
CID 22461419
benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide
CID 173309786
cyclopenta-1,3-diene;1,3-dinaphthalen-1-ylpropan-2-ylidenezirconium(2+);9H-fluoren-9-ide;dichloride
CID 87776177
benzene;cyclopenta-1,3-diene;zirconium(2+)
CID 174248756
cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)
CID 173138185
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 23363370
CID 87448005
CID 87448005
cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride
CID 87337244

Frequently Asked Questions

What is the IUPAC name of benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride?
The IUPAC name of benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride (CID 173264018) is benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride.
What is the SMILES notation for benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride?
The canonical SMILES for benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride is C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2].[c-]1ccccc1.[c-]1ccccc1.c1ccc2c(c1)ccc1[cH-]c3ccccc3c12.
What is the InChIKey of benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride?
The InChIKey is TWKPXOMJEODVSI-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H11.2C6H5.C5H5.CH4.2ClH.Zr/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;;;/h1-11H;2*1-5H;1-3H,4H2;1H4;2*1H;/q4*-1;;;;+2/p-2.
What are the key properties of benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride?
benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride has a molecular weight of 612.76 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;7H-benzo[c]fluoren-7-ide;cyclopenta-1,3-diene;methane;zirconium(2+);dichloride is sourced from PubChem (CID 173264018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).