6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine

C20H18FN3 — CID 166504660

IUPAC6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine
SMILESCN1c2cc(N)ccc2-c2ccc(N)cc2C1c1ccc([18F])cc1
InChIInChI=1S/C20H18FN3/c1-24-19-11-15(23)7-9-17(19)16-8-6-14(22)10-18(16)20(24)12-2-4-13(21)5-3-12/h2-11,20H,22-23H2,1H3/i21-1
InChIKeyYBEBDZDQMMFIAO-GJQNQZCXSA-N
MW318.39 g/mol
LogP4.20
Rot. Bonds1

About 6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine

6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine (PubChem CID 166504660) has the molecular formula C20H18FN3 and a molecular weight of 318.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine
PubChem CID166504660
Molecular FormulaC20H18FN3
Molecular Weight318.39 g/mol
Exact Mass318.15
IUPAC Name6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine
SMILESCN1c2cc(N)ccc2-c2ccc(N)cc2C1c1ccc([18F])cc1
InChIInChI=1S/C20H18FN3/c1-24-19-11-15(23)7-9-17(19)16-8-6-14(22)10-18(16)20(24)12-2-4-13(21)5-3-12/h2-11,20H,22-23H2,1H3/i21-1
InChIKeyYBEBDZDQMMFIAO-GJQNQZCXSA-N
XLogP4.20
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Dihydroethidium
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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine?
The IUPAC name of 6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine (CID 166504660) is 6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine.
What is the SMILES notation for 6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine?
The canonical SMILES for 6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine is CN1c2cc(N)ccc2-c2ccc(N)cc2C1c1ccc([18F])cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine?
The InChIKey is YBEBDZDQMMFIAO-GJQNQZCXSA-N. The full InChI is InChI=1S/C20H18FN3/c1-24-19-11-15(23)7-9-17(19)16-8-6-14(22)10-18(16)20(24)12-2-4-13(21)5-3-12/h2-11,20H,22-23H2,1H3/i21-1.
What are the key properties of 6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine?
6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine has a molecular weight of 318.39 g/mol, XLogP of 4.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-methyl-6H-phenanthridine-3,8-diamine is sourced from PubChem (CID 166504660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).