6-(1-phenylethyl)phenanthridine

C21H17N — CID 154722213

IUPAC6-(1-phenylethyl)phenanthridine
SMILESCC(c1ccccc1)c1nc2ccccc2c2ccccc12
InChIInChI=1S/C21H17N/c1-15(16-9-3-2-4-10-16)21-19-13-6-5-11-17(19)18-12-7-8-14-20(18)22-21/h2-15H,1H3
InChIKeyGSHGVLHOGXUGMW-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.54
Rot. Bonds2

About 6-(1-phenylethyl)phenanthridine

6-(1-phenylethyl)phenanthridine (PubChem CID 154722213) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-(1-phenylethyl)phenanthridine.

Molecular Properties

Compound Name6-(1-phenylethyl)phenanthridine
PubChem CID154722213
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name6-(1-phenylethyl)phenanthridine
SMILESCC(c1ccccc1)c1nc2ccccc2c2ccccc12
InChIInChI=1S/C21H17N/c1-15(16-9-3-2-4-10-16)21-19-13-6-5-11-17(19)18-12-7-8-14-20(18)22-21/h2-15H,1H3
InChIKeyGSHGVLHOGXUGMW-UHFFFAOYSA-N
XLogP5.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.54
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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Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethyl)phenanthridine?
The IUPAC name of 6-(1-phenylethyl)phenanthridine (CID 154722213) is 6-(1-phenylethyl)phenanthridine.
What is the SMILES notation for 6-(1-phenylethyl)phenanthridine?
The canonical SMILES for 6-(1-phenylethyl)phenanthridine is CC(c1ccccc1)c1nc2ccccc2c2ccccc12.
What is the InChIKey of 6-(1-phenylethyl)phenanthridine?
The InChIKey is GSHGVLHOGXUGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-15(16-9-3-2-4-10-16)21-19-13-6-5-11-17(19)18-12-7-8-14-20(18)22-21/h2-15H,1H3.
What are the key properties of 6-(1-phenylethyl)phenanthridine?
6-(1-phenylethyl)phenanthridine has a molecular weight of 283.37 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethyl)phenanthridine is sourced from PubChem (CID 154722213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).