6-(3,5-dimethylphenyl)phenanthridine

C21H17N — CID 122398560

IUPAC6-(3,5-dimethylphenyl)phenanthridine
SMILESCc1cc(C)cc(-c2nc3ccccc3c3ccccc23)c1
InChIInChI=1S/C21H17N/c1-14-11-15(2)13-16(12-14)21-19-9-4-3-7-17(19)18-8-5-6-10-20(18)22-21/h3-13H,1-2H3
InChIKeyDBTMFURWOFTSOI-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.67
Rot. Bonds1

About 6-(3,5-dimethylphenyl)phenanthridine

6-(3,5-dimethylphenyl)phenanthridine (PubChem CID 122398560) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)phenanthridine.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)phenanthridine
PubChem CID122398560
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name6-(3,5-dimethylphenyl)phenanthridine
SMILESCc1cc(C)cc(-c2nc3ccccc3c3ccccc23)c1
InChIInChI=1S/C21H17N/c1-14-11-15(2)13-16(12-14)21-19-9-4-3-7-17(19)18-8-5-6-10-20(18)22-21/h3-13H,1-2H3
InChIKeyDBTMFURWOFTSOI-UHFFFAOYSA-N
XLogP5.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methylphenyl)phenanthridine
CID 10707098
2-(3,5-dimethylphenyl)-3-methylquinoline
CID 59273843
2-(3,5-dimethylphenyl)-3-propan-2-ylquinoline
CID 175477212
2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline
CID 164939626
2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
CID 164787331
6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine
CID 129265621
2-(3,5-dimethylphenyl)-3,4,6-trimethylquinoline
CID 59348536
2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline
CID 140872725
(4-phenanthridin-6-ylphenyl)methanamine
CID 174909278
7-methyl-6-(4-methylphenyl)phenanthridine
CID 135007702
2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline
CID 167260846
2-(6-methylquinolin-2-yl)-4-phenylquinazoline
CID 162351932

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)phenanthridine?
The IUPAC name of 6-(3,5-dimethylphenyl)phenanthridine (CID 122398560) is 6-(3,5-dimethylphenyl)phenanthridine.
What is the SMILES notation for 6-(3,5-dimethylphenyl)phenanthridine?
The canonical SMILES for 6-(3,5-dimethylphenyl)phenanthridine is Cc1cc(C)cc(-c2nc3ccccc3c3ccccc23)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)phenanthridine?
The InChIKey is DBTMFURWOFTSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-14-11-15(2)13-16(12-14)21-19-9-4-3-7-17(19)18-8-5-6-10-20(18)22-21/h3-13H,1-2H3.
What are the key properties of 6-(3,5-dimethylphenyl)phenanthridine?
6-(3,5-dimethylphenyl)phenanthridine has a molecular weight of 283.37 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)phenanthridine is sourced from PubChem (CID 122398560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).