2-methylpyrrolo[3,4-f][2,7]phenanthroline

C15H11N3 — CID 140950302

IUPAC2-methylpyrrolo[3,4-f][2,7]phenanthroline
SMILESCn1cc2c3ccncc3c3cccnc3c2c1
InChIInChI=1S/C15H11N3/c1-18-8-13-10-4-6-16-7-12(10)11-3-2-5-17-15(11)14(13)9-18/h2-9H,1H3
InChIKeyGJEHWCNZNAVWNR-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.27
Rot. Bonds

About 2-methylpyrrolo[3,4-f][2,7]phenanthroline

2-methylpyrrolo[3,4-f][2,7]phenanthroline (PubChem CID 140950302) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methylpyrrolo[3,4-f][2,7]phenanthroline.

Molecular Properties

Compound Name2-methylpyrrolo[3,4-f][2,7]phenanthroline
PubChem CID140950302
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name2-methylpyrrolo[3,4-f][2,7]phenanthroline
SMILESCn1cc2c3ccncc3c3cccnc3c2c1
InChIInChI=1S/C15H11N3/c1-18-8-13-10-4-6-16-7-12(10)11-3-2-5-17-15(11)14(13)9-18/h2-9H,1H3
InChIKeyGJEHWCNZNAVWNR-UHFFFAOYSA-N
XLogP3.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylpyrrolo[3,4-f][2,7]phenanthroline?
The IUPAC name of 2-methylpyrrolo[3,4-f][2,7]phenanthroline (CID 140950302) is 2-methylpyrrolo[3,4-f][2,7]phenanthroline.
What is the SMILES notation for 2-methylpyrrolo[3,4-f][2,7]phenanthroline?
The canonical SMILES for 2-methylpyrrolo[3,4-f][2,7]phenanthroline is Cn1cc2c3ccncc3c3cccnc3c2c1.
What is the InChIKey of 2-methylpyrrolo[3,4-f][2,7]phenanthroline?
The InChIKey is GJEHWCNZNAVWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c1-18-8-13-10-4-6-16-7-12(10)11-3-2-5-17-15(11)14(13)9-18/h2-9H,1H3.
What are the key properties of 2-methylpyrrolo[3,4-f][2,7]phenanthroline?
2-methylpyrrolo[3,4-f][2,7]phenanthroline has a molecular weight of 233.27 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolo[3,4-f][2,7]phenanthroline is sourced from PubChem (CID 140950302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).