6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium

C17H14N+ — CID 57038467

IUPAC6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium
SMILESC1=CC[N+]2=c3ccccc3=C3C=CC=CC3C2=C1
InChIInChI=1S/C17H14N/c1-2-8-14-13(7-1)15-9-3-4-10-16(15)18-12-6-5-11-17(14)18/h1-11,14H,12H2/q+1
InChIKeyUWIFWEWYHQLKGG-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.54
Rot. Bonds

About 6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium

6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium (PubChem CID 57038467) has the molecular formula C17H14N+ and a molecular weight of 232.31 g/mol. Its IUPAC name is 6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium.

Molecular Properties

Compound Name6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium
PubChem CID57038467
Molecular FormulaC17H14N+
Molecular Weight232.31 g/mol
Exact Mass232.11
IUPAC Name6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium
SMILESC1=CC[N+]2=c3ccccc3=C3C=CC=CC3C2=C1
InChIInChI=1S/C17H14N/c1-2-8-14-13(7-1)15-9-3-4-10-16(15)18-12-6-5-11-17(14)18/h1-11,14H,12H2/q+1
InChIKeyUWIFWEWYHQLKGG-UHFFFAOYSA-N
XLogP1.54
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium?
The IUPAC name of 6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium (CID 57038467) is 6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium.
What is the SMILES notation for 6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium?
The canonical SMILES for 6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium is C1=CC[N+]2=c3ccccc3=C3C=CC=CC3C2=C1.
What is the InChIKey of 6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium?
The InChIKey is UWIFWEWYHQLKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N/c1-2-8-14-13(7-1)15-9-3-4-10-16(15)18-12-6-5-11-17(14)18/h1-11,14H,12H2/q+1.
What are the key properties of 6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium?
6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium has a molecular weight of 232.31 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9b-dihydropyrido[1,2-f]phenanthridin-5-ium is sourced from PubChem (CID 57038467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).