6H-pyrrolo[3,2-a]phenanthridin-7-amine

C15H11N3 — CID 135753407

IUPAC6H-pyrrolo[3,2-a]phenanthridin-7-amine
SMILESNc1[nH]c2ccc3nccc3c2c2ccccc12
InChIInChI=1S/C15H11N3/c16-15-10-4-2-1-3-9(10)14-11-7-8-17-12(11)5-6-13(14)18-15/h1-8,18H,16H2
InChIKeyVNTHQFIRAICBRD-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.45
Rot. Bonds

About 6H-pyrrolo[3,2-a]phenanthridin-7-amine

6H-pyrrolo[3,2-a]phenanthridin-7-amine (PubChem CID 135753407) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6H-pyrrolo[3,2-a]phenanthridin-7-amine.

Molecular Properties

Compound Name6H-pyrrolo[3,2-a]phenanthridin-7-amine
PubChem CID135753407
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name6H-pyrrolo[3,2-a]phenanthridin-7-amine
SMILESNc1[nH]c2ccc3nccc3c2c2ccccc12
InChIInChI=1S/C15H11N3/c16-15-10-4-2-1-3-9(10)14-11-7-8-17-12(11)5-6-13(14)18-15/h1-8,18H,16H2
InChIKeyVNTHQFIRAICBRD-UHFFFAOYSA-N
XLogP3.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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[3,2-a]phenanthridin-7-amine?
The IUPAC name of 6H-pyrrolo[3,2-a]phenanthridin-7-amine (CID 135753407) is 6H-pyrrolo[3,2-a]phenanthridin-7-amine.
What is the SMILES notation for 6H-pyrrolo[3,2-a]phenanthridin-7-amine?
The canonical SMILES for 6H-pyrrolo[3,2-a]phenanthridin-7-amine is Nc1[nH]c2ccc3nccc3c2c2ccccc12.
What is the InChIKey of 6H-pyrrolo[3,2-a]phenanthridin-7-amine?
The InChIKey is VNTHQFIRAICBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c16-15-10-4-2-1-3-9(10)14-11-7-8-17-12(11)5-6-13(14)18-15/h1-8,18H,16H2.
What are the key properties of 6H-pyrrolo[3,2-a]phenanthridin-7-amine?
6H-pyrrolo[3,2-a]phenanthridin-7-amine has a molecular weight of 233.27 g/mol, XLogP of 3.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrrolo[3,2-a]phenanthridin-7-amine is sourced from PubChem (CID 135753407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).