CID 67903950

C25H24N2OSi — CID 67903950

IUPAC—
SMILESCCCOc1cccc([Si]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1
InChIInChI=1S/C25H24N2OSi/c1-2-18-28-23-14-9-15-24(19-23)29-25(27-17-16-26-20-27,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-17,19-20H,2,18H2,1H3
InChIKeyXRCRZICDHBVPIP-UHFFFAOYSA-N
MW396.57 g/mol
LogP4.45
Rot. Bonds8

About CID 67903950

CID 67903950 (PubChem CID 67903950) has the molecular formula C25H24N2OSi and a molecular weight of 396.57 g/mol.

Molecular Properties

Compound NameCID 67903950
PubChem CID67903950
Molecular FormulaC25H24N2OSi
Molecular Weight396.57 g/mol
Exact Mass396.17
IUPAC Name—
SMILESCCCOc1cccc([Si]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1
InChIInChI=1S/C25H24N2OSi/c1-2-18-28-23-14-9-15-24(19-23)29-25(27-17-16-26-20-27,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-17,19-20H,2,18H2,1H3
InChIKeyXRCRZICDHBVPIP-UHFFFAOYSA-N
XLogP4.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 54.45
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 67903950?
The IUPAC name of CID 67903950 (CID 67903950) is not available.
What is the SMILES notation for CID 67903950?
The canonical SMILES for CID 67903950 is CCCOc1cccc([Si]C(c2ccccc2)(c2ccccc2)n2ccnc2)c1.
What is the InChIKey of CID 67903950?
The InChIKey is XRCRZICDHBVPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2OSi/c1-2-18-28-23-14-9-15-24(19-23)29-25(27-17-16-26-20-27,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-17,19-20H,2,18H2,1H3.
What are the key properties of CID 67903950?
CID 67903950 has a molecular weight of 396.57 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67903950 is sourced from PubChem (CID 67903950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).