6-(4-methylphenyl)phenanthridine

C20H15N — CID 10707098

IUPAC6-(4-methylphenyl)phenanthridine
SMILESCc1ccc(-c2nc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C20H15N/c1-14-10-12-15(13-11-14)20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)21-20/h2-13H,1H3
InChIKeyXIRNJVPACPYZIY-UHFFFAOYSA-N
MW269.35 g/mol
LogP5.36
Rot. Bonds1

About 6-(4-methylphenyl)phenanthridine

6-(4-methylphenyl)phenanthridine (PubChem CID 10707098) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-(4-methylphenyl)phenanthridine.

Molecular Properties

Compound Name6-(4-methylphenyl)phenanthridine
PubChem CID10707098
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC Name6-(4-methylphenyl)phenanthridine
SMILESCc1ccc(-c2nc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C20H15N/c1-14-10-12-15(13-11-14)20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)21-20/h2-13H,1H3
InChIKeyXIRNJVPACPYZIY-UHFFFAOYSA-N
XLogP5.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.35
LogP ≤ 55.36
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-(3,5-dimethylphenyl)phenanthridine
CID 122398560
7-methyl-6-(4-methylphenyl)phenanthridine
CID 135007702
2-chloro-4-(4-methylphenyl)quinazoline
CID 3122268
(4-phenanthridin-6-ylphenyl)methanamine
CID 174909278
4-(4-methylphenyl)furo[2,3-c]quinoline
CID 166570103
3-(4-methylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 59090361
2-methyl-6-(4-nitrophenyl)phenanthridine
CID 11995600
methyl 4-(2-methylphenanthridin-6-yl)benzoate
CID 134946434
6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine
CID 129265621
N-(4-methylphenyl)phenanthridin-6-amine
CID 156902145
4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinazoline
CID 11267128
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-propan-2-ylphenyl)phenyl]phenyl]phenanthridine
CID 129201361

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)phenanthridine?
The IUPAC name of 6-(4-methylphenyl)phenanthridine (CID 10707098) is 6-(4-methylphenyl)phenanthridine.
What is the SMILES notation for 6-(4-methylphenyl)phenanthridine?
The canonical SMILES for 6-(4-methylphenyl)phenanthridine is Cc1ccc(-c2nc3ccccc3c3ccccc23)cc1.
What is the InChIKey of 6-(4-methylphenyl)phenanthridine?
The InChIKey is XIRNJVPACPYZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N/c1-14-10-12-15(13-11-14)20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)21-20/h2-13H,1H3.
What are the key properties of 6-(4-methylphenyl)phenanthridine?
6-(4-methylphenyl)phenanthridine has a molecular weight of 269.35 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)phenanthridine is sourced from PubChem (CID 10707098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).