N-(4-methylphenyl)phenanthridin-6-amine

C20H16N2 — CID 156902145

IUPACN-(4-methylphenyl)phenanthridin-6-amine
SMILESCc1ccc(Nc2nc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C20H16N2/c1-14-10-12-15(13-11-14)21-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)22-20/h2-13H,1H3,(H,21,22)
InChIKeyQQNCFBVKZXHOHG-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.44
Rot. Bonds2

About N-(4-methylphenyl)phenanthridin-6-amine

N-(4-methylphenyl)phenanthridin-6-amine (PubChem CID 156902145) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-methylphenyl)phenanthridin-6-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)phenanthridin-6-amine
PubChem CID156902145
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC NameN-(4-methylphenyl)phenanthridin-6-amine
SMILESCc1ccc(Nc2nc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C20H16N2/c1-14-10-12-15(13-11-14)21-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)22-20/h2-13H,1H3,(H,21,22)
InChIKeyQQNCFBVKZXHOHG-UHFFFAOYSA-N
XLogP5.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.44
H-Bond Donors ≤ 51
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 N-(4-methylphenyl)phenanthridin-6-amine?
The IUPAC name of N-(4-methylphenyl)phenanthridin-6-amine (CID 156902145) is N-(4-methylphenyl)phenanthridin-6-amine.
What is the SMILES notation for N-(4-methylphenyl)phenanthridin-6-amine?
The canonical SMILES for N-(4-methylphenyl)phenanthridin-6-amine is Cc1ccc(Nc2nc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)phenanthridin-6-amine?
The InChIKey is QQNCFBVKZXHOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-14-10-12-15(13-11-14)21-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)22-20/h2-13H,1H3,(H,21,22).
What are the key properties of N-(4-methylphenyl)phenanthridin-6-amine?
N-(4-methylphenyl)phenanthridin-6-amine has a molecular weight of 284.36 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)phenanthridin-6-amine is sourced from PubChem (CID 156902145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).