9-methoxy-2-methyl-6-phenylphenanthridine

C21H17NO — CID 50902217

IUPAC9-methoxy-2-methyl-6-phenylphenanthridine
SMILESCOc1ccc2c(-c3ccccc3)nc3ccc(C)cc3c2c1
InChIInChI=1S/C21H17NO/c1-14-8-11-20-19(12-14)18-13-16(23-2)9-10-17(18)21(22-20)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyCCILGDIAHVIINE-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.37
Rot. Bonds2

About 9-methoxy-2-methyl-6-phenylphenanthridine

9-methoxy-2-methyl-6-phenylphenanthridine (PubChem CID 50902217) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 9-methoxy-2-methyl-6-phenylphenanthridine.

Molecular Properties

Compound Name9-methoxy-2-methyl-6-phenylphenanthridine
PubChem CID50902217
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name9-methoxy-2-methyl-6-phenylphenanthridine
SMILESCOc1ccc2c(-c3ccccc3)nc3ccc(C)cc3c2c1
InChIInChI=1S/C21H17NO/c1-14-8-11-20-19(12-14)18-13-16(23-2)9-10-17(18)21(22-20)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyCCILGDIAHVIINE-UHFFFAOYSA-N
XLogP5.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.37
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 9-methoxy-2-methyl-6-phenylphenanthridine?
The IUPAC name of 9-methoxy-2-methyl-6-phenylphenanthridine (CID 50902217) is 9-methoxy-2-methyl-6-phenylphenanthridine.
What is the SMILES notation for 9-methoxy-2-methyl-6-phenylphenanthridine?
The canonical SMILES for 9-methoxy-2-methyl-6-phenylphenanthridine is COc1ccc2c(-c3ccccc3)nc3ccc(C)cc3c2c1.
What is the InChIKey of 9-methoxy-2-methyl-6-phenylphenanthridine?
The InChIKey is CCILGDIAHVIINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-14-8-11-20-19(12-14)18-13-16(23-2)9-10-17(18)21(22-20)15-6-4-3-5-7-15/h3-13H,1-2H3.
What are the key properties of 9-methoxy-2-methyl-6-phenylphenanthridine?
9-methoxy-2-methyl-6-phenylphenanthridine has a molecular weight of 299.37 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-methyl-6-phenylphenanthridine is sourced from PubChem (CID 50902217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).