9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine

C53H39N3O — CID 158597634

IUPAC9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
SMILESCc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc(-c2nccc3ccccc23)c1
InChIInChI=1S/C53H39N3O/c1-36-16-14-17-37(2)51(36)39-32-40(52-45-23-7-6-18-38(45)29-31-55-52)34-44(33-39)57-43-22-15-19-41(35-43)53(50-28-12-13-30-54-50)46-24-8-10-26-48(46)56(42-20-4-3-5-21-42)49-27-11-9-25-47(49)53/h3-35H,1-2H3
InChIKeyFBTOCVKRDUQAJN-UHFFFAOYSA-N
MW733.91 g/mol
LogP13.54
Rot. Bonds7

About 9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine

9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine (PubChem CID 158597634) has the molecular formula C53H39N3O and a molecular weight of 733.91 g/mol. Its IUPAC name is 9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine.

Molecular Properties

Compound Name9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
PubChem CID158597634
Molecular FormulaC53H39N3O
Molecular Weight733.91 g/mol
Exact Mass733.31
IUPAC Name9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
SMILESCc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc(-c2nccc3ccccc23)c1
InChIInChI=1S/C53H39N3O/c1-36-16-14-17-37(2)51(36)39-32-40(52-45-23-7-6-18-38(45)29-31-55-52)34-44(33-39)57-43-22-15-19-41(35-43)53(50-28-12-13-30-54-50)46-24-8-10-26-48(46)56(42-20-4-3-5-21-42)49-27-11-9-25-47(49)53/h3-35H,1-2H3
InChIKeyFBTOCVKRDUQAJN-UHFFFAOYSA-N
XLogP13.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.91
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine with MolForge

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Related Compounds

9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158345600
2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-3-ylphenoxy]phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-[3-(2,6-dimethylphenyl)-5-quinolin-2-ylphenoxy]phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-[3-quinolin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]acridine
CID 158489250
9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158415835
2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole
CID 160845402
2-[9-[3-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]xanthen-9-yl]pyridine;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline
CID 157104232
4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine
CID 159029308
2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]quinoline
CID 158403134
10-phenyl-9,9-dipyridin-2-ylacridine
CID 58029185
4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
CID 158341283
9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-5-(2,6-dimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-1-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-isoquinolin-3-ylphenoxy)phenyl]-9-pyridin-2-ylacridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-pyridin-2-ylphenoxy)phenyl]acridine;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-(3-quinolin-2-ylphenoxy)phenyl]acridine;9-[3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;9-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine;diiodide
CID 158527531
2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140716419
9-[3-[5-[(1R,7S)-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-2,4-difluorophenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158527534

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine?
The IUPAC name of 9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine (CID 158597634) is 9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine.
What is the SMILES notation for 9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine?
The canonical SMILES for 9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine is Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc(-c2nccc3ccccc23)c1.
What is the InChIKey of 9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine?
The InChIKey is FBTOCVKRDUQAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N3O/c1-36-16-14-17-37(2)51(36)39-32-40(52-45-23-7-6-18-38(45)29-31-55-52)34-44(33-39)57-43-22-15-19-41(35-43)53(50-28-12-13-30-54-50)46-24-8-10-26-48(46)56(42-20-4-3-5-21-42)49-27-11-9-25-47(49)53/h3-35H,1-2H3.
What are the key properties of 9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine?
9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine has a molecular weight of 733.91 g/mol, XLogP of 13.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine is sourced from PubChem (CID 158597634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).