4,5,10-trimethylphenanthridin-6-one

C16H15NO — CID 132522082

IUPAC4,5,10-trimethylphenanthridin-6-one
SMILESCc1cccc2c(=O)n(C)c3c(C)cccc3c12
InChIInChI=1S/C16H15NO/c1-10-6-4-9-13-14(10)12-8-5-7-11(2)15(12)17(3)16(13)18/h4-9H,1-3H3
InChIKeyYVAJBAQLLGCJKY-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.31
Rot. Bonds

About 4,5,10-trimethylphenanthridin-6-one

4,5,10-trimethylphenanthridin-6-one (PubChem CID 132522082) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 4,5,10-trimethylphenanthridin-6-one.

Molecular Properties

Compound Name4,5,10-trimethylphenanthridin-6-one
PubChem CID132522082
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name4,5,10-trimethylphenanthridin-6-one
SMILESCc1cccc2c(=O)n(C)c3c(C)cccc3c12
InChIInChI=1S/C16H15NO/c1-10-6-4-9-13-14(10)12-8-5-7-11(2)15(12)17(3)16(13)18/h4-9H,1-3H3
InChIKeyYVAJBAQLLGCJKY-UHFFFAOYSA-N
XLogP3.31
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5,10-trimethylphenanthridin-6-one?
The IUPAC name of 4,5,10-trimethylphenanthridin-6-one (CID 132522082) is 4,5,10-trimethylphenanthridin-6-one.
What is the SMILES notation for 4,5,10-trimethylphenanthridin-6-one?
The canonical SMILES for 4,5,10-trimethylphenanthridin-6-one is Cc1cccc2c(=O)n(C)c3c(C)cccc3c12.
What is the InChIKey of 4,5,10-trimethylphenanthridin-6-one?
The InChIKey is YVAJBAQLLGCJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-10-6-4-9-13-14(10)12-8-5-7-11(2)15(12)17(3)16(13)18/h4-9H,1-3H3.
What are the key properties of 4,5,10-trimethylphenanthridin-6-one?
4,5,10-trimethylphenanthridin-6-one has a molecular weight of 237.30 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,10-trimethylphenanthridin-6-one is sourced from PubChem (CID 132522082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).