5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine

C21H21N3 — CID 140981328

IUPAC5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine
SMILESCCN1c2ccc(N)c(N)c2-c2ccccc2C1c1ccccc1
InChIInChI=1S/C21H21N3/c1-2-24-18-13-12-17(22)20(23)19(18)15-10-6-7-11-16(15)21(24)14-8-4-3-5-9-14/h3-13,21H,2,22-23H2,1H3
InChIKeyWWMKBBSUIJVKJX-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.45
Rot. Bonds2

About 5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine

5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine (PubChem CID 140981328) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine.

Molecular Properties

Compound Name5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine
PubChem CID140981328
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine
SMILESCCN1c2ccc(N)c(N)c2-c2ccccc2C1c1ccccc1
InChIInChI=1S/C21H21N3/c1-2-24-18-13-12-17(22)20(23)19(18)15-10-6-7-11-16(15)21(24)14-8-4-3-5-9-14/h3-13,21H,2,22-23H2,1H3
InChIKeyWWMKBBSUIJVKJX-UHFFFAOYSA-N
XLogP4.45
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine?
The IUPAC name of 5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine (CID 140981328) is 5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine.
What is the SMILES notation for 5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine?
The canonical SMILES for 5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine is CCN1c2ccc(N)c(N)c2-c2ccccc2C1c1ccccc1.
What is the InChIKey of 5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine?
The InChIKey is WWMKBBSUIJVKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-2-24-18-13-12-17(22)20(23)19(18)15-10-6-7-11-16(15)21(24)14-8-4-3-5-9-14/h3-13,21H,2,22-23H2,1H3.
What are the key properties of 5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine?
5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine has a molecular weight of 315.42 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-phenyl-6H-phenanthridine-1,2-diamine is sourced from PubChem (CID 140981328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).