9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride

C21H19Cl3Zr — CID 173293137

IUPAC9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride
SMILESCC(C)c1[c-]c2c(cc1)-c1ccccc1C2C1=CC=CC1.[Cl-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C21H19.3ClH.Zr/c1-14(2)16-11-12-18-17-9-5-6-10-19(17)21(20(18)13-16)15-7-3-4-8-15;;;;/h3-7,9-12,14,21H,8H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyBBILPQHOSCNCRT-UHFFFAOYSA-K
MW468.97 g/mol
LogP-3.38
Rot. Bonds2

About 9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride

9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride (PubChem CID 173293137) has the molecular formula C21H19Cl3Zr and a molecular weight of 468.97 g/mol. Its IUPAC name is 9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride.

Molecular Properties

Compound Name9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride
PubChem CID173293137
Molecular FormulaC21H19Cl3Zr
Molecular Weight468.97 g/mol
Exact Mass465.96
IUPAC Name9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride
SMILESCC(C)c1[c-]c2c(cc1)-c1ccccc1C2C1=CC=CC1.[Cl-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C21H19.3ClH.Zr/c1-14(2)16-11-12-18-17-9-5-6-10-19(17)21(20(18)13-16)15-7-3-4-8-15;;;;/h3-7,9-12,14,21H,8H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyBBILPQHOSCNCRT-UHFFFAOYSA-K
XLogP-3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.97
LogP ≤ 5-3.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride 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

9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;hafnium(4+);propane;dichloride
CID 23174972
9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 87877757
3-tert-butyl-9-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propane;zirconium(4+);dichloride
CID 19937883
9-cyclopenta-1,3-dien-1-yl-3-methyl-9H-fluorene
CID 22620643
2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene
CID 91299044
9-(4-propan-2-ylphenyl)-9H-fluorene
CID 123721477
9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride
CID 23443914
1-[2-(9H-fluoren-9-yl)phenyl]ethanol
CID 87492772
1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene
CID 87773412
1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene
CID 141168944
1,3-di(propan-2-yl)benzene-2-ide
CID 102286386
9-(5-cyclopenta-1,3-dien-1-ylhex-1-enyl)-9H-fluorene
CID 90908374

Frequently Asked Questions

What is the IUPAC name of 9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride?
The IUPAC name of 9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride (CID 173293137) is 9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride.
What is the SMILES notation for 9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride?
The canonical SMILES for 9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride is CC(C)c1[c-]c2c(cc1)-c1ccccc1C2C1=CC=CC1.[Cl-].[Cl-].[Cl-].[Zr+4].
What is the InChIKey of 9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride?
The InChIKey is BBILPQHOSCNCRT-UHFFFAOYSA-K. The full InChI is InChI=1S/C21H19.3ClH.Zr/c1-14(2)16-11-12-18-17-9-5-6-10-19(17)21(20(18)13-16)15-7-3-4-8-15;;;;/h3-7,9-12,14,21H,8H2,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride?
9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride has a molecular weight of 468.97 g/mol, XLogP of -3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopenta-1,3-dien-1-yl-2-propan-2-yl-1,9-dihydrofluoren-1-ide;zirconium(4+);trichloride is sourced from PubChem (CID 173293137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).