CID 173237152

C33H27HfSi- — CID 173237152

IUPAC—
SMILESC1=CC(c2ccc3c([cH-]c4ccccc43)c2C2C=Cc3ccccc32)c2ccccc21.C[Si]C.[Hf]
InChIInChI=1S/C31H21.C2H6Si.Hf/c1-4-10-23-20(7-1)13-15-26(23)29-18-17-27-25-12-6-3-9-22(25)19-30(27)31(29)28-16-14-21-8-2-5-11-24(21)28;1-3-2;/h1-19,26,28H;1-2H3;/q-1;;
InChIKeyQYYOWBJCLQRZEQ-UHFFFAOYSA-N
MW630.16 g/mol
LogP8.81
Rot. Bonds2

About CID 173237152

CID 173237152 (PubChem CID 173237152) has the molecular formula C33H27HfSi- and a molecular weight of 630.16 g/mol.

Molecular Properties

Compound NameCID 173237152
PubChem CID173237152
Molecular FormulaC33H27HfSi-
Molecular Weight630.16 g/mol
Exact Mass631.14
IUPAC Name—
SMILESC1=CC(c2ccc3c([cH-]c4ccccc43)c2C2C=Cc3ccccc32)c2ccccc21.C[Si]C.[Hf]
InChIInChI=1S/C31H21.C2H6Si.Hf/c1-4-10-23-20(7-1)13-15-26(23)29-18-17-27-25-12-6-3-9-22(25)19-30(27)31(29)28-16-14-21-8-2-5-11-24(21)28;1-3-2;/h1-19,26,28H;1-2H3;/q-1;;
InChIKeyQYYOWBJCLQRZEQ-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.16
LogP ≤ 58.81
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 173237152?
The IUPAC name of CID 173237152 (CID 173237152) is not available.
What is the SMILES notation for CID 173237152?
The canonical SMILES for CID 173237152 is C1=CC(c2ccc3c([cH-]c4ccccc43)c2C2C=Cc3ccccc32)c2ccccc21.C[Si]C.[Hf].
What is the InChIKey of CID 173237152?
The InChIKey is QYYOWBJCLQRZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21.C2H6Si.Hf/c1-4-10-23-20(7-1)13-15-26(23)29-18-17-27-25-12-6-3-9-22(25)19-30(27)31(29)28-16-14-21-8-2-5-11-24(21)28;1-3-2;/h1-19,26,28H;1-2H3;/q-1;;.
What are the key properties of CID 173237152?
CID 173237152 has a molecular weight of 630.16 g/mol, XLogP of 8.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173237152 is sourced from PubChem (CID 173237152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).