CID 173190182

C46H56HfSi-2 — CID 173190182

IUPAC—
SMILESCC(C)Cc1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.CC(C)Cc1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.C[Si]C.[Hf]
InChIInChI=1S/2C22H25.C2H6Si.Hf/c2*1-15(2)12-17-8-5-6-10-20(17)21-11-7-9-18-13-19(16(3)4)14-22(18)21;1-3-2;/h2*5-11,13-16H,12H2,1-4H3;1-2H3;/q2*-1;;
InChIKeyUCTPQWLPJLWNHP-UHFFFAOYSA-N
MW815.53 g/mol
LogP13.88
Rot. Bonds8

About CID 173190182

CID 173190182 (PubChem CID 173190182) has the molecular formula C46H56HfSi-2 and a molecular weight of 815.53 g/mol.

Molecular Properties

Compound NameCID 173190182
PubChem CID173190182
Molecular FormulaC46H56HfSi-2
Molecular Weight815.53 g/mol
Exact Mass816.36
IUPAC Name—
SMILESCC(C)Cc1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.CC(C)Cc1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.C[Si]C.[Hf]
InChIInChI=1S/2C22H25.C2H6Si.Hf/c2*1-15(2)12-17-8-5-6-10-20(17)21-11-7-9-18-13-19(16(3)4)14-22(18)21;1-3-2;/h2*5-11,13-16H,12H2,1-4H3;1-2H3;/q2*-1;;
InChIKeyUCTPQWLPJLWNHP-UHFFFAOYSA-N
XLogP13.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.53
LogP ≤ 513.88
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 173190182?
The IUPAC name of CID 173190182 (CID 173190182) is not available.
What is the SMILES notation for CID 173190182?
The canonical SMILES for CID 173190182 is CC(C)Cc1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.CC(C)Cc1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.C[Si]C.[Hf].
What is the InChIKey of CID 173190182?
The InChIKey is UCTPQWLPJLWNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25.C2H6Si.Hf/c2*1-15(2)12-17-8-5-6-10-20(17)21-11-7-9-18-13-19(16(3)4)14-22(18)21;1-3-2;/h2*5-11,13-16H,12H2,1-4H3;1-2H3;/q2*-1;;.
What are the key properties of CID 173190182?
CID 173190182 has a molecular weight of 815.53 g/mol, XLogP of 13.88, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173190182 is sourced from PubChem (CID 173190182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).