7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one

C22H21NOSi — CID 123653282

IUPAC7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one
SMILESCc1ccccc1C1=C2C=CC(=O)C=C2[Si](C)(C)c2cc(N)ccc21
InChIInChI=1S/C22H21NOSi/c1-14-6-4-5-7-17(14)22-18-10-8-15(23)12-20(18)25(2,3)21-13-16(24)9-11-19(21)22/h4-13H,23H2,1-3H3
InChIKeyJCOPOXZQSCLGHC-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.91
Rot. Bonds1

About 7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one

7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one (PubChem CID 123653282) has the molecular formula C22H21NOSi and a molecular weight of 343.50 g/mol. Its IUPAC name is 7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one.

Molecular Properties

Compound Name7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one
PubChem CID123653282
Molecular FormulaC22H21NOSi
Molecular Weight343.50 g/mol
Exact Mass343.14
IUPAC Name7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one
SMILESCc1ccccc1C1=C2C=CC(=O)C=C2[Si](C)(C)c2cc(N)ccc21
InChIInChI=1S/C22H21NOSi/c1-14-6-4-5-7-17(14)22-18-10-8-15(23)12-20(18)25(2,3)21-13-16(24)9-11-19(21)22/h4-13H,23H2,1-3H3
InChIKeyJCOPOXZQSCLGHC-UHFFFAOYSA-N
XLogP3.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one?
The IUPAC name of 7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one (CID 123653282) is 7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one.
What is the SMILES notation for 7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one?
The canonical SMILES for 7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one is Cc1ccccc1C1=C2C=CC(=O)C=C2[Si](C)(C)c2cc(N)ccc21.
What is the InChIKey of 7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one?
The InChIKey is JCOPOXZQSCLGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOSi/c1-14-6-4-5-7-17(14)22-18-10-8-15(23)12-20(18)25(2,3)21-13-16(24)9-11-19(21)22/h4-13H,23H2,1-3H3.
What are the key properties of 7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one?
7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one has a molecular weight of 343.50 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5,5-dimethyl-10-(2-methylphenyl)benzo[b][1]benzosilin-3-one is sourced from PubChem (CID 123653282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).