cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium

C21H21Zr-3 — CID 173267556

IUPACcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium
SMILESCC(C)=[Zr].[C-]1=CC=CC1.[H-].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H5.C3H6.Zr.H/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;;/h1-5,7-8H,9H2;1-3H,4H2;1-2H3;;/q2*-1;;;-1
InChIKeyJYKJXNFSYPOKEW-UHFFFAOYSA-N
MW364.62 g/mol
LogP5.22
Rot. Bonds

About cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium

cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium (PubChem CID 173267556) has the molecular formula C21H21Zr-3 and a molecular weight of 364.62 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium
PubChem CID173267556
Molecular FormulaC21H21Zr-3
Molecular Weight364.62 g/mol
Exact Mass363.07
IUPAC Namecyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium
SMILESCC(C)=[Zr].[C-]1=CC=CC1.[H-].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H5.C3H6.Zr.H/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;;/h1-5,7-8H,9H2;1-3H,4H2;1-2H3;;/q2*-1;;;-1
InChIKeyJYKJXNFSYPOKEW-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 55.22
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

cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride
CID 18316822
bis(cyclopenta-1,3-diene);bis(1,9-dihydrofluoren-1-ide);bis(propan-2-ylidenezirconium(2+));dichloride
CID 21253595
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)
CID 23102965
dilithium;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide
CID 19418222
CID 173302368
CID 173302368
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium;dihydrochloride
CID 87101265
CID 173313985
CID 173313985
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;methylidenetitanium
CID 21256054
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;bis(2-methanidylpropane);silylidenezirconium;dihydrochloride
CID 173156970
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;disilylidenezirconium;dihydrochloride
CID 173081380
butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
CID 173157100
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;difluoride
CID 22323902

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium?
The IUPAC name of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium (CID 173267556) is cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium.
What is the SMILES notation for cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium?
The canonical SMILES for cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium is CC(C)=[Zr].[C-]1=CC=CC1.[H-].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium?
The InChIKey is JYKJXNFSYPOKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C5H5.C3H6.Zr.H/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;;/h1-5,7-8H,9H2;1-3H,4H2;1-2H3;;/q2*-1;;;-1.
What are the key properties of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium?
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium has a molecular weight of 364.62 g/mol, XLogP of 5.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium is sourced from PubChem (CID 173267556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).