CID 173190423

C44H52HfSi-2 — CID 173190423

IUPAC—
SMILESCCC(C)c1cc2c(-c3cccc(C)c3C)cccc2[cH-]1.CCC(C)c1cc2c(-c3cccc(C)c3C)cccc2[cH-]1.C[Si]C.[Hf]
InChIInChI=1S/2C21H23.C2H6Si.Hf/c2*1-5-14(2)18-12-17-9-7-11-20(21(17)13-18)19-10-6-8-15(3)16(19)4;1-3-2;/h2*6-14H,5H2,1-4H3;1-2H3;/q2*-1;;
InChIKeyKHPODVNJQWPTDB-UHFFFAOYSA-N
MW787.48 g/mol
LogP13.50
Rot. Bonds6

About CID 173190423

CID 173190423 (PubChem CID 173190423) has the molecular formula C44H52HfSi-2 and a molecular weight of 787.48 g/mol.

Molecular Properties

Compound NameCID 173190423
PubChem CID173190423
Molecular FormulaC44H52HfSi-2
Molecular Weight787.48 g/mol
Exact Mass788.33
IUPAC Name—
SMILESCCC(C)c1cc2c(-c3cccc(C)c3C)cccc2[cH-]1.CCC(C)c1cc2c(-c3cccc(C)c3C)cccc2[cH-]1.C[Si]C.[Hf]
InChIInChI=1S/2C21H23.C2H6Si.Hf/c2*1-5-14(2)18-12-17-9-7-11-20(21(17)13-18)19-10-6-8-15(3)16(19)4;1-3-2;/h2*6-14H,5H2,1-4H3;1-2H3;/q2*-1;;
InChIKeyKHPODVNJQWPTDB-UHFFFAOYSA-N
XLogP13.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.48
LogP ≤ 513.50
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 173190423?
The IUPAC name of CID 173190423 (CID 173190423) is not available.
What is the SMILES notation for CID 173190423?
The canonical SMILES for CID 173190423 is CCC(C)c1cc2c(-c3cccc(C)c3C)cccc2[cH-]1.CCC(C)c1cc2c(-c3cccc(C)c3C)cccc2[cH-]1.C[Si]C.[Hf].
What is the InChIKey of CID 173190423?
The InChIKey is KHPODVNJQWPTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H23.C2H6Si.Hf/c2*1-5-14(2)18-12-17-9-7-11-20(21(17)13-18)19-10-6-8-15(3)16(19)4;1-3-2;/h2*6-14H,5H2,1-4H3;1-2H3;/q2*-1;;.
What are the key properties of CID 173190423?
CID 173190423 has a molecular weight of 787.48 g/mol, XLogP of 13.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173190423 is sourced from PubChem (CID 173190423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).