2-chloro-6-pentan-3-ylphenanthridine

C18H18ClN — CID 132849267

IUPAC2-chloro-6-pentan-3-ylphenanthridine
SMILESCCC(CC)c1nc2ccc(Cl)cc2c2ccccc12
InChIInChI=1S/C18H18ClN/c1-3-12(4-2)18-15-8-6-5-7-14(15)16-11-13(19)9-10-17(16)20-18/h5-12H,3-4H2,1-2H3
InChIKeyQYJSVTICZIEFDP-UHFFFAOYSA-N
MW283.80 g/mol
LogP5.95
Rot. Bonds3

About 2-chloro-6-pentan-3-ylphenanthridine

2-chloro-6-pentan-3-ylphenanthridine (PubChem CID 132849267) has the molecular formula C18H18ClN and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-6-pentan-3-ylphenanthridine.

Molecular Properties

Compound Name2-chloro-6-pentan-3-ylphenanthridine
PubChem CID132849267
Molecular FormulaC18H18ClN
Molecular Weight283.80 g/mol
Exact Mass283.11
IUPAC Name2-chloro-6-pentan-3-ylphenanthridine
SMILESCCC(CC)c1nc2ccc(Cl)cc2c2ccccc12
InChIInChI=1S/C18H18ClN/c1-3-12(4-2)18-15-8-6-5-7-14(15)16-11-13(19)9-10-17(16)20-18/h5-12H,3-4H2,1-2H3
InChIKeyQYJSVTICZIEFDP-UHFFFAOYSA-N
XLogP5.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.80
LogP ≤ 55.95
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 2-chloro-6-pentan-3-ylphenanthridine?
The IUPAC name of 2-chloro-6-pentan-3-ylphenanthridine (CID 132849267) is 2-chloro-6-pentan-3-ylphenanthridine.
What is the SMILES notation for 2-chloro-6-pentan-3-ylphenanthridine?
The canonical SMILES for 2-chloro-6-pentan-3-ylphenanthridine is CCC(CC)c1nc2ccc(Cl)cc2c2ccccc12.
What is the InChIKey of 2-chloro-6-pentan-3-ylphenanthridine?
The InChIKey is QYJSVTICZIEFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN/c1-3-12(4-2)18-15-8-6-5-7-14(15)16-11-13(19)9-10-17(16)20-18/h5-12H,3-4H2,1-2H3.
What are the key properties of 2-chloro-6-pentan-3-ylphenanthridine?
2-chloro-6-pentan-3-ylphenanthridine has a molecular weight of 283.80 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pentan-3-ylphenanthridine is sourced from PubChem (CID 132849267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).