8H-pyrrolo[3,4-f][1,10]phenanthroline

C14H9N3 — CID 135415051

IUPAC8H-pyrrolo[3,4-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1cncc1c1ccc[nH]c12
InChIInChI=1S/C14H9N3/c1-3-9-11-7-15-8-12(11)10-4-2-6-17-14(10)13(9)16-5-1/h1-8,16H
InChIKeyRDTWJQZVBUAUQO-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.26
Rot. Bonds

About 8H-pyrrolo[3,4-f][1,10]phenanthroline

8H-pyrrolo[3,4-f][1,10]phenanthroline (PubChem CID 135415051) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 8H-pyrrolo[3,4-f][1,10]phenanthroline.

Molecular Properties

Compound Name8H-pyrrolo[3,4-f][1,10]phenanthroline
PubChem CID135415051
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name8H-pyrrolo[3,4-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1cncc1c1ccc[nH]c12
InChIInChI=1S/C14H9N3/c1-3-9-11-7-15-8-12(11)10-4-2-6-17-14(10)13(9)16-5-1/h1-8,16H
InChIKeyRDTWJQZVBUAUQO-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8H-pyrrolo[3,4-f][1,10]phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8H-pyrrolo[3,4-f][1,10]phenanthroline?
The IUPAC name of 8H-pyrrolo[3,4-f][1,10]phenanthroline (CID 135415051) is 8H-pyrrolo[3,4-f][1,10]phenanthroline.
What is the SMILES notation for 8H-pyrrolo[3,4-f][1,10]phenanthroline?
The canonical SMILES for 8H-pyrrolo[3,4-f][1,10]phenanthroline is c1cnc2c(c1)c1cncc1c1ccc[nH]c12.
What is the InChIKey of 8H-pyrrolo[3,4-f][1,10]phenanthroline?
The InChIKey is RDTWJQZVBUAUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c1-3-9-11-7-15-8-12(11)10-4-2-6-17-14(10)13(9)16-5-1/h1-8,16H.
What are the key properties of 8H-pyrrolo[3,4-f][1,10]phenanthroline?
8H-pyrrolo[3,4-f][1,10]phenanthroline has a molecular weight of 219.25 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-pyrrolo[3,4-f][1,10]phenanthroline is sourced from PubChem (CID 135415051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).