N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine

C40H40N4 — CID 71654078

About N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 71654078) has the molecular formula C40H40N4 and a molecular weight of 576.79 g/mol. Its IUPAC name is N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

• Compound Name: N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine
• PubChem CID: 71654078
• Molecular Formula: C40H40N4
• Molecular Weight: 576.79 g/mol
• Exact Mass: 576.33
• IUPAC Name: N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine
• SMILES: c1ccc(-c2nc(-c3ccccc3)n(CCCCCCNc3c4c(nc5ccccc35)CCCC4)c2-c2ccccc2)cc1
• InChI: InChI=1S/C40H40N4/c1(16-28-41-38-33-24-12-14-26-35(33)42-36-27-15-13-25-34(36)38)2-17-29-44-39(31-20-8-4-9-21-31)37(30-18-6-3-7-19-30)43-40(44)32-22-10-5-11-23-32/h3-12,14,18-24,26H,1-2,13,15-17,25,27-29H2,(H,41,42)
• InChIKey: AUYOBRGGEYPRJO-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 42.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.79
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine?

The IUPAC name of N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 71654078) is N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine.

What is the SMILES notation for N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine?

The canonical SMILES for N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine is c1ccc(-c2nc(-c3ccccc3)n(CCCCCCNc3c4c(nc5ccccc35)CCCC4)c2-c2ccccc2)cc1.

What is the InChIKey of N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine?

The InChIKey is AUYOBRGGEYPRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N4/c1(16-28-41-38-33-24-12-14-26-35(33)42-36-27-15-13-25-34(36)38)2-17-29-44-39(31-20-8-4-9-21-31)37(30-18-6-3-7-19-30)43-40(44)32-22-10-5-11-23-32/h3-12,14,18-24,26H,1-2,13,15-17,25,27-29H2,(H,41,42).

What are the key properties of N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine?

N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 576.79 g/mol, XLogP of 9.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2,4,5-triphenylimidazol-1-yl)hexyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 71654078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).