CID 173060795

C24H28Cl2SiZr — CID 173060795

IUPAC—
SMILESCC(C)(C)C1=CCC(c2[c-]c3c(cc2)-c2ccccc2C3)=C1.C[SiH]C.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C22H21.C2H7Si.2ClH.Zr/c1-22(2,3)19-10-8-16(14-19)15-9-11-21-18(12-15)13-17-6-4-5-7-20(17)21;1-3-2;;;/h4-7,9-11,14H,8,13H2,1-3H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyYHTIWYQEUNEYEO-UHFFFAOYSA-L
MW506.70 g/mol
LogP0.34
Rot. Bonds1

About CID 173060795

CID 173060795 (PubChem CID 173060795) has the molecular formula C24H28Cl2SiZr and a molecular weight of 506.70 g/mol.

Molecular Properties

Compound NameCID 173060795
PubChem CID173060795
Molecular FormulaC24H28Cl2SiZr
Molecular Weight506.70 g/mol
Exact Mass504.04
IUPAC Name—
SMILESCC(C)(C)C1=CCC(c2[c-]c3c(cc2)-c2ccccc2C3)=C1.C[SiH]C.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C22H21.C2H7Si.2ClH.Zr/c1-22(2,3)19-10-8-16(14-19)15-9-11-21-18(12-15)13-17-6-4-5-7-20(17)21;1-3-2;;;/h4-7,9-11,14H,8,13H2,1-3H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyYHTIWYQEUNEYEO-UHFFFAOYSA-L
XLogP0.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.70
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride
CID 87531949
cyclohexylidenezirconium;bis(2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide);dichloride
CID 18785407
tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
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bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
CID 87200949
3,6-ditert-butyl-2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium
CID 173230952
CID 154493054
CID 154493054
methanol;2-methyl-1,9-dihydrofluoren-1-ide;titanium
CID 174331013
2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)
CID 87704393
dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)
CID 87824196

Frequently Asked Questions

What is the IUPAC name of CID 173060795?
The IUPAC name of CID 173060795 (CID 173060795) is not available.
What is the SMILES notation for CID 173060795?
The canonical SMILES for CID 173060795 is CC(C)(C)C1=CCC(c2[c-]c3c(cc2)-c2ccccc2C3)=C1.C[SiH]C.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of CID 173060795?
The InChIKey is YHTIWYQEUNEYEO-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H21.C2H7Si.2ClH.Zr/c1-22(2,3)19-10-8-16(14-19)15-9-11-21-18(12-15)13-17-6-4-5-7-20(17)21;1-3-2;;;/h4-7,9-11,14H,8,13H2,1-3H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of CID 173060795?
CID 173060795 has a molecular weight of 506.70 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173060795 is sourced from PubChem (CID 173060795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).