N-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine

C42H43FN4 — CID 71653619

IUPACN-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESFc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C42H43FN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,44,45)
InChIKeyLCSSDHOWSYPALV-UHFFFAOYSA-N
MW622.83 g/mol
LogP10.90
Rot. Bonds13

About N-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine

N-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 71653619) has the molecular formula C42H43FN4 and a molecular weight of 622.83 g/mol. Its IUPAC name is N-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID71653619
Molecular FormulaC42H43FN4
Molecular Weight622.83 g/mol
Exact Mass622.35
IUPAC NameN-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESFc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C42H43FN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,44,45)
InChIKeyLCSSDHOWSYPALV-UHFFFAOYSA-N
XLogP10.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.83
LogP ≤ 510.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 71653619) is N-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine is Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of N-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is LCSSDHOWSYPALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43FN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,44,45).
What are the key properties of N-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine?
N-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 622.83 g/mol, XLogP of 10.90, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]octyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 71653619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).