9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine

C54H41N3O — CID 158345600

IUPAC9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
SMILESCc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)cc(-c3cc4ccccc4cn3)c2)c(C)c1
InChIInChI=1S/C54H41N3O/c1-36-28-37(2)53(38(3)29-36)42-30-41(49-33-39-16-7-8-17-40(39)35-56-49)31-46(32-42)58-45-21-15-18-43(34-45)54(52-26-13-14-27-55-52)47-22-9-11-24-50(47)57(44-19-5-4-6-20-44)51-25-12-10-23-48(51)54/h4-35H,1-3H3
InChIKeyAESSAEVSGVVWCS-UHFFFAOYSA-N
MW747.94 g/mol
LogP13.85
Rot. Bonds7

About 9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine

9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine (PubChem CID 158345600) has the molecular formula C54H41N3O and a molecular weight of 747.94 g/mol. Its IUPAC name is 9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine.

Molecular Properties

Compound Name9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
PubChem CID158345600
Molecular FormulaC54H41N3O
Molecular Weight747.94 g/mol
Exact Mass747.32
IUPAC Name9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
SMILESCc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)cc(-c3cc4ccccc4cn3)c2)c(C)c1
InChIInChI=1S/C54H41N3O/c1-36-28-37(2)53(38(3)29-36)42-30-41(49-33-39-16-7-8-17-40(39)35-56-49)31-46(32-42)58-45-21-15-18-43(34-45)54(52-26-13-14-27-55-52)47-22-9-11-24-50(47)57(44-19-5-4-6-20-44)51-25-12-10-23-48(51)54/h4-35H,1-3H3
InChIKeyAESSAEVSGVVWCS-UHFFFAOYSA-N
XLogP13.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.94
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine with MolForge

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Related Compounds

9-[3-[3-(2,6-dimethylphenyl)-5-isoquinolin-1-ylphenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158597634
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
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
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
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
4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
CID 158341283
10-phenyl-9,9-dipyridin-2-ylacridine
CID 58029185
2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 136997077
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;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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine?
The IUPAC name of 9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine (CID 158345600) is 9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine.
What is the SMILES notation for 9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine?
The canonical SMILES for 9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine is Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5N(c5ccccc5)c5ccccc54)c3)cc(-c3cc4ccccc4cn3)c2)c(C)c1.
What is the InChIKey of 9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine?
The InChIKey is AESSAEVSGVVWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N3O/c1-36-28-37(2)53(38(3)29-36)42-30-41(49-33-39-16-7-8-17-40(39)35-56-49)31-46(32-42)58-45-21-15-18-43(34-45)54(52-26-13-14-27-55-52)47-22-9-11-24-50(47)57(44-19-5-4-6-20-44)51-25-12-10-23-48(51)54/h4-35H,1-3H3.
What are the key properties of 9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine?
9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine has a molecular weight of 747.94 g/mol, XLogP of 13.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine is sourced from PubChem (CID 158345600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).