9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline

C23H21NSi — CID 58184937

IUPAC9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline
SMILESCN1c2ccccc2[Si](C)(C)c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C23H21NSi/c1-24-20-14-8-9-15-21(20)25(2,3)23-19-13-7-5-11-17(19)16-10-4-6-12-18(16)22(23)24/h4-15H,1-3H3
InChIKeyFKQGVRJLZAXQBQ-UHFFFAOYSA-N
MW339.51 g/mol
LogP4.90
Rot. Bonds

About 9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline

9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline (PubChem CID 58184937) has the molecular formula C23H21NSi and a molecular weight of 339.51 g/mol. Its IUPAC name is 9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline.

Molecular Properties

Compound Name9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline
PubChem CID58184937
Molecular FormulaC23H21NSi
Molecular Weight339.51 g/mol
Exact Mass339.14
IUPAC Name9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline
SMILESCN1c2ccccc2[Si](C)(C)c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C23H21NSi/c1-24-20-14-8-9-15-21(20)25(2,3)23-19-13-7-5-11-17(19)16-10-4-6-12-18(16)22(23)24/h4-15H,1-3H3
InChIKeyFKQGVRJLZAXQBQ-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline?
The IUPAC name of 9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline (CID 58184937) is 9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline.
What is the SMILES notation for 9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline?
The canonical SMILES for 9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline is CN1c2ccccc2[Si](C)(C)c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline?
The InChIKey is FKQGVRJLZAXQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NSi/c1-24-20-14-8-9-15-21(20)25(2,3)23-19-13-7-5-11-17(19)16-10-4-6-12-18(16)22(23)24/h4-15H,1-3H3.
What are the key properties of 9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline?
9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline has a molecular weight of 339.51 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14,14-trimethylphenanthro[9,10-b][1,4]benzazasiline is sourced from PubChem (CID 58184937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).