cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride

C21H20ClZr- — CID 18316822

IUPACcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride
SMILESCC(C)=[Zr+2].[C-]1=CC=CC1.[Cl-].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H5.C3H6.ClH.Zr/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;1H;/q2*-1;;;+2/p-1
InChIKeySSKNPSHPSUKOMA-UHFFFAOYSA-M
MW399.07 g/mol
LogP2.11
Rot. Bonds

About cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride

cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride (PubChem CID 18316822) has the molecular formula C21H20ClZr- and a molecular weight of 399.07 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride
PubChem CID18316822
Molecular FormulaC21H20ClZr-
Molecular Weight399.07 g/mol
Exact Mass397.03
IUPAC Namecyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride
SMILESCC(C)=[Zr+2].[C-]1=CC=CC1.[Cl-].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C5H5.C3H6.ClH.Zr/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;1H;/q2*-1;;;+2/p-1
InChIKeySSKNPSHPSUKOMA-UHFFFAOYSA-M
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.07
LogP ≤ 52.11
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

bis(cyclopenta-1,3-diene);bis(1,9-dihydrofluoren-1-ide);bis(propan-2-ylidenezirconium(2+));dichloride
CID 21253595
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CID 173267556
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 173313985
CID 173313985
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CID 22323902
CID 173302368
CID 173302368
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium;dihydrochloride
CID 87101265
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;methylidenetitanium
CID 21256054
bis(cyclopenta-1,3-diene);bis(N,N-dimethyl-1,9-dihydrofluoren-1-id-4-amine);bis(propan-2-ylidenezirconium(2+));dichloride
CID 22617530
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;disilylidenezirconium;dihydrochloride
CID 173081380
1,1'-biphenyl;carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;zirconium(3+);dihydrochloride
CID 173153112

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride?
The IUPAC name of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride (CID 18316822) is cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride.
What is the SMILES notation for cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride?
The canonical SMILES for cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride is CC(C)=[Zr+2].[C-]1=CC=CC1.[Cl-].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride?
The InChIKey is SSKNPSHPSUKOMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9.C5H5.C3H6.ClH.Zr/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;1H;/q2*-1;;;+2/p-1.
What are the key properties of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride?
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride has a molecular weight of 399.07 g/mol, XLogP of 2.11, 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;propan-2-ylidenezirconium(2+);chloride is sourced from PubChem (CID 18316822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).