CID 175287047

C31H23Si — CID 175287047

IUPAC—
SMILES[Si]C1(C2(c3ccccc3)c3ccccc3-c3ccccc32)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C31H23Si/c32-30(21-19-24(20-22-30)23-11-3-1-4-12-23)31(25-13-5-2-6-14-25)28-17-9-7-15-26(28)27-16-8-10-18-29(27)31/h1-21H,22H2
InChIKeyJOWOATYZHDIGPG-UHFFFAOYSA-N
MW423.61 g/mol
LogP7.37
Rot. Bonds3

About CID 175287047

CID 175287047 (PubChem CID 175287047) has the molecular formula C31H23Si and a molecular weight of 423.61 g/mol.

Molecular Properties

Compound NameCID 175287047
PubChem CID175287047
Molecular FormulaC31H23Si
Molecular Weight423.61 g/mol
Exact Mass423.16
IUPAC Name—
SMILES[Si]C1(C2(c3ccccc3)c3ccccc3-c3ccccc32)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C31H23Si/c32-30(21-19-24(20-22-30)23-11-3-1-4-12-23)31(25-13-5-2-6-14-25)28-17-9-7-15-26(28)27-16-8-10-18-29(27)31/h1-21H,22H2
InChIKeyJOWOATYZHDIGPG-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.61
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 175287047 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 175287047?
The IUPAC name of CID 175287047 (CID 175287047) is not available.
What is the SMILES notation for CID 175287047?
The canonical SMILES for CID 175287047 is [Si]C1(C2(c3ccccc3)c3ccccc3-c3ccccc32)C=CC(c2ccccc2)=CC1.
What is the InChIKey of CID 175287047?
The InChIKey is JOWOATYZHDIGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23Si/c32-30(21-19-24(20-22-30)23-11-3-1-4-12-23)31(25-13-5-2-6-14-25)28-17-9-7-15-26(28)27-16-8-10-18-29(27)31/h1-21H,22H2.
What are the key properties of CID 175287047?
CID 175287047 has a molecular weight of 423.61 g/mol, XLogP of 7.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175287047 is sourced from PubChem (CID 175287047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).