CID 173190387

C60H49HfSi-3 — CID 173190387

IUPAC—
SMILESCC(C)c1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.CC(C)c1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.[Hf].[c-]1cccc2c1[Si]c1ccccc1-2
InChIInChI=1S/2C24H21.C12H7Si.Hf/c2*1-17(2)21-12-6-7-13-22(21)23-14-8-11-19-15-20(16-24(19)23)18-9-4-3-5-10-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h2*3-17H,1-2H3;1-7H;/q3*-1;
InChIKeyABLKXRUWOLHQND-UHFFFAOYSA-N
MW976.63 g/mol
LogP15.15
Rot. Bonds6

About CID 173190387

CID 173190387 (PubChem CID 173190387) has the molecular formula C60H49HfSi-3 and a molecular weight of 976.63 g/mol.

Molecular Properties

Compound NameCID 173190387
PubChem CID173190387
Molecular FormulaC60H49HfSi-3
Molecular Weight976.63 g/mol
Exact Mass977.31
IUPAC Name—
SMILESCC(C)c1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.CC(C)c1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.[Hf].[c-]1cccc2c1[Si]c1ccccc1-2
InChIInChI=1S/2C24H21.C12H7Si.Hf/c2*1-17(2)21-12-6-7-13-22(21)23-14-8-11-19-15-20(16-24(19)23)18-9-4-3-5-10-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h2*3-17H,1-2H3;1-7H;/q3*-1;
InChIKeyABLKXRUWOLHQND-UHFFFAOYSA-N
XLogP15.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.63
LogP ≤ 515.15
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 173190387?
The IUPAC name of CID 173190387 (CID 173190387) is not available.
What is the SMILES notation for CID 173190387?
The canonical SMILES for CID 173190387 is CC(C)c1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.CC(C)c1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.[Hf].[c-]1cccc2c1[Si]c1ccccc1-2.
What is the InChIKey of CID 173190387?
The InChIKey is ABLKXRUWOLHQND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H21.C12H7Si.Hf/c2*1-17(2)21-12-6-7-13-22(21)23-14-8-11-19-15-20(16-24(19)23)18-9-4-3-5-10-18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;/h2*3-17H,1-2H3;1-7H;/q3*-1;.
What are the key properties of CID 173190387?
CID 173190387 has a molecular weight of 976.63 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173190387 is sourced from PubChem (CID 173190387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).