CID 173063837

C36H38Cl2HfSi-2 — CID 173063837

IUPAC—
SMILESC[Si]C.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cl.Cl.[Hf]
InChIInChI=1S/2C17H15.C2H6Si.2ClH.Hf/c2*1-12-10-14-7-5-9-16(17(14)11-12)15-8-4-3-6-13(15)2;1-3-2;;;/h2*3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;
InChIKeyHMMYUQWLQFLVPI-UHFFFAOYSA-N
MW748.18 g/mol
LogP11.31
Rot. Bonds2

About CID 173063837

CID 173063837 (PubChem CID 173063837) has the molecular formula C36H38Cl2HfSi-2 and a molecular weight of 748.18 g/mol.

Molecular Properties

Compound NameCID 173063837
PubChem CID173063837
Molecular FormulaC36H38Cl2HfSi-2
Molecular Weight748.18 g/mol
Exact Mass748.16
IUPAC Name—
SMILESC[Si]C.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cl.Cl.[Hf]
InChIInChI=1S/2C17H15.C2H6Si.2ClH.Hf/c2*1-12-10-14-7-5-9-16(17(14)11-12)15-8-4-3-6-13(15)2;1-3-2;;;/h2*3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;
InChIKeyHMMYUQWLQFLVPI-UHFFFAOYSA-N
XLogP11.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.18
LogP ≤ 511.31
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

2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride
CID 162036346
bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 22335826
CID 173190105
CID 173190105
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
CID 173190048
CID 173190048
CID 173124092
CID 173124092
CID 173284099
CID 173284099
CID 172998684
CID 172998684
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18538203
CID 173161432
CID 173161432

Frequently Asked Questions

What is the IUPAC name of CID 173063837?
The IUPAC name of CID 173063837 (CID 173063837) is not available.
What is the SMILES notation for CID 173063837?
The canonical SMILES for CID 173063837 is C[Si]C.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cc1cc2c(-c3ccccc3C)cccc2[cH-]1.Cl.Cl.[Hf].
What is the InChIKey of CID 173063837?
The InChIKey is HMMYUQWLQFLVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15.C2H6Si.2ClH.Hf/c2*1-12-10-14-7-5-9-16(17(14)11-12)15-8-4-3-6-13(15)2;1-3-2;;;/h2*3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;.
What are the key properties of CID 173063837?
CID 173063837 has a molecular weight of 748.18 g/mol, XLogP of 11.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173063837 is sourced from PubChem (CID 173063837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).