4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

C47H33N3O2 — CID 118532601

IUPAC4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESCC1(C)c2ccccc2N(c2ccc(-c3c4nc(-c5ccccc5)oc4c(-c4ccccc4)c4nc(-c5ccccc5)oc34)cc2)c2ccccc21
InChIInChI=1S/C47H33N3O2/c1-47(2)35-22-12-14-24-37(35)50(38-25-15-13-23-36(38)47)34-28-26-31(27-29-34)40-42-43(51-46(49-42)33-20-10-5-11-21-33)39(30-16-6-3-7-17-30)41-44(40)52-45(48-41)32-18-8-4-9-19-32/h3-29H,1-2H3
InChIKeyUPUJLGURJUPVGE-UHFFFAOYSA-N
MW671.80 g/mol
LogP12.75
Rot. Bonds5

About 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (PubChem CID 118532601) has the molecular formula C47H33N3O2 and a molecular weight of 671.80 g/mol. Its IUPAC name is 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
PubChem CID118532601
Molecular FormulaC47H33N3O2
Molecular Weight671.80 g/mol
Exact Mass671.26
IUPAC Name4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESCC1(C)c2ccccc2N(c2ccc(-c3c4nc(-c5ccccc5)oc4c(-c4ccccc4)c4nc(-c5ccccc5)oc34)cc2)c2ccccc21
InChIInChI=1S/C47H33N3O2/c1-47(2)35-22-12-14-24-37(35)50(38-25-15-13-23-36(38)47)34-28-26-31(27-29-34)40-42-43(51-46(49-42)33-20-10-5-11-21-33)39(30-16-6-3-7-17-30)41-44(40)52-45(48-41)32-18-8-4-9-19-32/h3-29H,1-2H3
InChIKeyUPUJLGURJUPVGE-UHFFFAOYSA-N
XLogP12.75
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.80
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole with MolForge

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Related Compounds

10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 118532602
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline
CID 130396225
4,9-bis[4-(9,9-dimethylacridin-10-yl)phenyl]benzo[f][2,1,3]benzothiadiazole
CID 176727950
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528452
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
9,9-dimethyl-10-[4-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine
CID 168805920
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The IUPAC name of 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (CID 118532601) is 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.
What is the SMILES notation for 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The canonical SMILES for 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is CC1(C)c2ccccc2N(c2ccc(-c3c4nc(-c5ccccc5)oc4c(-c4ccccc4)c4nc(-c5ccccc5)oc34)cc2)c2ccccc21.
What is the InChIKey of 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The InChIKey is UPUJLGURJUPVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3O2/c1-47(2)35-22-12-14-24-37(35)50(38-25-15-13-23-36(38)47)34-28-26-31(27-29-34)40-42-43(51-46(49-42)33-20-10-5-11-21-33)39(30-16-6-3-7-17-30)41-44(40)52-45(48-41)32-18-8-4-9-19-32/h3-29H,1-2H3.
What are the key properties of 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole has a molecular weight of 671.80 g/mol, XLogP of 12.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 118532601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).