CID 14902838

C27H21S3Si — CID 14902838

IUPAC—
SMILESc1ccc2c(c1)SCc1cc3cc(c1)CSc1ccccc1[Si]2c1ccccc1SC3
InChIInChI=1S/C27H21S3Si/c1-4-10-25-22(7-1)28-16-19-13-20-15-21(14-19)18-30-24-9-3-6-12-27(24)31(25)26-11-5-2-8-23(26)29-17-20/h1-15H,16-18H2
InChIKeyYPHQXYCWPHTTAD-UHFFFAOYSA-N
MW469.75 g/mol
LogP5.71
Rot. Bonds

About CID 14902838

CID 14902838 (PubChem CID 14902838) has the molecular formula C27H21S3Si and a molecular weight of 469.75 g/mol.

Molecular Properties

Compound NameCID 14902838
PubChem CID14902838
Molecular FormulaC27H21S3Si
Molecular Weight469.75 g/mol
Exact Mass469.06
IUPAC Name—
SMILESc1ccc2c(c1)SCc1cc3cc(c1)CSc1ccccc1[Si]2c1ccccc1SC3
InChIInChI=1S/C27H21S3Si/c1-4-10-25-22(7-1)28-16-19-13-20-15-21(14-19)18-30-24-9-3-6-12-27(24)31(25)26-11-5-2-8-23(26)29-17-20/h1-15H,16-18H2
InChIKeyYPHQXYCWPHTTAD-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.75
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 14902838?
The IUPAC name of CID 14902838 (CID 14902838) is not available.
What is the SMILES notation for CID 14902838?
The canonical SMILES for CID 14902838 is c1ccc2c(c1)SCc1cc3cc(c1)CSc1ccccc1[Si]2c1ccccc1SC3.
What is the InChIKey of CID 14902838?
The InChIKey is YPHQXYCWPHTTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21S3Si/c1-4-10-25-22(7-1)28-16-19-13-20-15-21(14-19)18-30-24-9-3-6-12-27(24)31(25)26-11-5-2-8-23(26)29-17-20/h1-15H,16-18H2.
What are the key properties of CID 14902838?
CID 14902838 has a molecular weight of 469.75 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14902838 is sourced from PubChem (CID 14902838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).