6H-pyrrolo[2,3-a]phenanthridine

C15H10N2 — CID 640947

IUPAC6H-pyrrolo[2,3-a]phenanthridine
SMILESc1ccc2c(c1)c[nH]c1ccc3ccnc3c12
InChIInChI=1S/C15H10N2/c1-2-4-12-11(3-1)9-17-13-6-5-10-7-8-16-15(10)14(12)13/h1-9,17H
InChIKeyABXWTAOOWLEWGX-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.87
Rot. Bonds

About 6H-pyrrolo[2,3-a]phenanthridine

6H-pyrrolo[2,3-a]phenanthridine (PubChem CID 640947) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6H-pyrrolo[2,3-a]phenanthridine.

Molecular Properties

Compound Name6H-pyrrolo[2,3-a]phenanthridine
PubChem CID640947
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name6H-pyrrolo[2,3-a]phenanthridine
SMILESc1ccc2c(c1)c[nH]c1ccc3ccnc3c12
InChIInChI=1S/C15H10N2/c1-2-4-12-11(3-1)9-17-13-6-5-10-7-8-16-15(10)14(12)13/h1-9,17H
InChIKeyABXWTAOOWLEWGX-UHFFFAOYSA-N
XLogP3.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
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 6H-pyrrolo[2,3-a]phenanthridine?
The IUPAC name of 6H-pyrrolo[2,3-a]phenanthridine (CID 640947) is 6H-pyrrolo[2,3-a]phenanthridine.
What is the SMILES notation for 6H-pyrrolo[2,3-a]phenanthridine?
The canonical SMILES for 6H-pyrrolo[2,3-a]phenanthridine is c1ccc2c(c1)c[nH]c1ccc3ccnc3c12.
What is the InChIKey of 6H-pyrrolo[2,3-a]phenanthridine?
The InChIKey is ABXWTAOOWLEWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c1-2-4-12-11(3-1)9-17-13-6-5-10-7-8-16-15(10)14(12)13/h1-9,17H.
What are the key properties of 6H-pyrrolo[2,3-a]phenanthridine?
6H-pyrrolo[2,3-a]phenanthridine has a molecular weight of 218.26 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrrolo[2,3-a]phenanthridine is sourced from PubChem (CID 640947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).