CID 173239350

C17H27Cl2HfNSi-2 — CID 173239350

IUPAC—
SMILESCC(C)c1ccccc1[NH-].CC1=CC[C-]=C1.C[Si]C.Cl.Cl.[Hf]
InChIInChI=1S/C9H12N.C6H7.C2H6Si.2ClH.Hf/c1-7(2)8-5-3-4-6-9(8)10;1-6-4-2-3-5-6;1-3-2;;;/h3-7,10H,1-2H3;4-5H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;
InChIKeyRQRSQVOUOCWSIC-UHFFFAOYSA-N
MW522.89 g/mol
LogP6.82
Rot. Bonds1

About CID 173239350

CID 173239350 (PubChem CID 173239350) has the molecular formula C17H27Cl2HfNSi-2 and a molecular weight of 522.89 g/mol.

Molecular Properties

Compound NameCID 173239350
PubChem CID173239350
Molecular FormulaC17H27Cl2HfNSi-2
Molecular Weight522.89 g/mol
Exact Mass523.08
IUPAC Name—
SMILESCC(C)c1ccccc1[NH-].CC1=CC[C-]=C1.C[Si]C.Cl.Cl.[Hf]
InChIInChI=1S/C9H12N.C6H7.C2H6Si.2ClH.Hf/c1-7(2)8-5-3-4-6-9(8)10;1-6-4-2-3-5-6;1-3-2;;;/h3-7,10H,1-2H3;4-5H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;
InChIKeyRQRSQVOUOCWSIC-UHFFFAOYSA-N
XLogP6.82
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.89
LogP ≤ 56.82
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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Frequently Asked Questions

What is the IUPAC name of CID 173239350?
The IUPAC name of CID 173239350 (CID 173239350) is not available.
What is the SMILES notation for CID 173239350?
The canonical SMILES for CID 173239350 is CC(C)c1ccccc1[NH-].CC1=CC[C-]=C1.C[Si]C.Cl.Cl.[Hf].
What is the InChIKey of CID 173239350?
The InChIKey is RQRSQVOUOCWSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.C6H7.C2H6Si.2ClH.Hf/c1-7(2)8-5-3-4-6-9(8)10;1-6-4-2-3-5-6;1-3-2;;;/h3-7,10H,1-2H3;4-5H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;.
What are the key properties of CID 173239350?
CID 173239350 has a molecular weight of 522.89 g/mol, XLogP of 6.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173239350 is sourced from PubChem (CID 173239350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).