CID 173237181

C33H31Cl2HfSi-3 — CID 173237181

IUPAC—
SMILESC[Si]C.Cl.Cl.[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.2C9H7.C2H6Si.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h1-9H;2*1-7H;1-2H3;2*1H;/q3*-1;;;;
InChIKeyYEMGPWQVKLGIGJ-UHFFFAOYSA-N
MW705.09 g/mol
LogP10.46
Rot. Bonds

About CID 173237181

CID 173237181 (PubChem CID 173237181) has the molecular formula C33H31Cl2HfSi-3 and a molecular weight of 705.09 g/mol.

Molecular Properties

Compound NameCID 173237181
PubChem CID173237181
Molecular FormulaC33H31Cl2HfSi-3
Molecular Weight705.09 g/mol
Exact Mass705.11
IUPAC Name—
SMILESC[Si]C.Cl.Cl.[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.2C9H7.C2H6Si.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h1-9H;2*1-7H;1-2H3;2*1H;/q3*-1;;;;
InChIKeyYEMGPWQVKLGIGJ-UHFFFAOYSA-N
XLogP10.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.09
LogP ≤ 510.46
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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Frequently Asked Questions

What is the IUPAC name of CID 173237181?
The IUPAC name of CID 173237181 (CID 173237181) is not available.
What is the SMILES notation for CID 173237181?
The canonical SMILES for CID 173237181 is C[Si]C.Cl.Cl.[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of CID 173237181?
The InChIKey is YEMGPWQVKLGIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.2C9H7.C2H6Si.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h1-9H;2*1-7H;1-2H3;2*1H;/q3*-1;;;;.
What are the key properties of CID 173237181?
CID 173237181 has a molecular weight of 705.09 g/mol, XLogP of 10.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173237181 is sourced from PubChem (CID 173237181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).