3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine

C27H33N3 — CID 19825834

IUPAC3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine
SMILESCCN(CC)c1ccc2c(c1)Nc1cc(N(CC)CC)ccc1C2c1ccccc1
InChIInChI=1S/C27H33N3/c1-5-29(6-2)21-14-16-23-25(18-21)28-26-19-22(30(7-3)8-4)15-17-24(26)27(23)20-12-10-9-11-13-20/h9-19,27-28H,5-8H2,1-4H3
InChIKeyLUWKRSOVUOOWSG-UHFFFAOYSA-N
MW399.58 g/mol
LogP6.62
Rot. Bonds7

About 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine

3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine (PubChem CID 19825834) has the molecular formula C27H33N3 and a molecular weight of 399.58 g/mol. Its IUPAC name is 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine.

Molecular Properties

Compound Name3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine
PubChem CID19825834
Molecular FormulaC27H33N3
Molecular Weight399.58 g/mol
Exact Mass399.27
IUPAC Name3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine
SMILESCCN(CC)c1ccc2c(c1)Nc1cc(N(CC)CC)ccc1C2c1ccccc1
InChIInChI=1S/C27H33N3/c1-5-29(6-2)21-14-16-23-25(18-21)28-26-19-22(30(7-3)8-4)15-17-24(26)27(23)20-12-10-9-11-13-20/h9-19,27-28H,5-8H2,1-4H3
InChIKeyLUWKRSOVUOOWSG-UHFFFAOYSA-N
XLogP6.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine?
The IUPAC name of 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine (CID 19825834) is 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine.
What is the SMILES notation for 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine?
The canonical SMILES for 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine is CCN(CC)c1ccc2c(c1)Nc1cc(N(CC)CC)ccc1C2c1ccccc1.
What is the InChIKey of 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine?
The InChIKey is LUWKRSOVUOOWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3/c1-5-29(6-2)21-14-16-23-25(18-21)28-26-19-22(30(7-3)8-4)15-17-24(26)27(23)20-12-10-9-11-13-20/h9-19,27-28H,5-8H2,1-4H3.
What are the key properties of 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine?
3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine has a molecular weight of 399.58 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9,10-dihydroacridine-3,6-diamine is sourced from PubChem (CID 19825834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).