CID 57082783

C21H21NO2Si — CID 57082783

IUPAC—
SMILESCOC(OC)[Si]c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO2Si/c1-23-21(24-2)25-20-15-13-19(14-16-20)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3
InChIKeyFCHJBFGQCMPHKR-UHFFFAOYSA-N
MW347.49 g/mol
LogP4.06
Rot. Bonds7

About CID 57082783

CID 57082783 (PubChem CID 57082783) has the molecular formula C21H21NO2Si and a molecular weight of 347.49 g/mol.

Molecular Properties

Compound NameCID 57082783
PubChem CID57082783
Molecular FormulaC21H21NO2Si
Molecular Weight347.49 g/mol
Exact Mass347.13
IUPAC Name—
SMILESCOC(OC)[Si]c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO2Si/c1-23-21(24-2)25-20-15-13-19(14-16-20)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3
InChIKeyFCHJBFGQCMPHKR-UHFFFAOYSA-N
XLogP4.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 57082783?
The IUPAC name of CID 57082783 (CID 57082783) is not available.
What is the SMILES notation for CID 57082783?
The canonical SMILES for CID 57082783 is COC(OC)[Si]c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 57082783?
The InChIKey is FCHJBFGQCMPHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2Si/c1-23-21(24-2)25-20-15-13-19(14-16-20)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3.
What are the key properties of CID 57082783?
CID 57082783 has a molecular weight of 347.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57082783 is sourced from PubChem (CID 57082783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).