2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

C35H25N3O2 — CID 154623001

IUPAC2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESCCC1c2ccccc2N(c2ccc(-c3nc4cc5oc(-c6ccccc6)nc5cc4o3)cc2)c2ccccc21
InChIInChI=1S/C35H25N3O2/c1-2-25-26-12-6-8-14-30(26)38(31-15-9-7-13-27(25)31)24-18-16-23(17-19-24)35-37-29-21-32-28(20-33(29)40-35)36-34(39-32)22-10-4-3-5-11-22/h3-21,25H,2H2,1H3
InChIKeyWJOXOTDGHLSWEZ-UHFFFAOYSA-N
MW519.60 g/mol
LogP9.63
Rot. Bonds4

About 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (PubChem CID 154623001) has the molecular formula C35H25N3O2 and a molecular weight of 519.60 g/mol. Its IUPAC name is 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
PubChem CID154623001
Molecular FormulaC35H25N3O2
Molecular Weight519.60 g/mol
Exact Mass519.19
IUPAC Name2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESCCC1c2ccccc2N(c2ccc(-c3nc4cc5oc(-c6ccccc6)nc5cc4o3)cc2)c2ccccc21
InChIInChI=1S/C35H25N3O2/c1-2-25-26-12-6-8-14-30(26)38(31-15-9-7-13-27(25)31)24-18-16-23(17-19-24)35-37-29-21-32-28(20-33(29)40-35)36-34(39-32)22-10-4-3-5-11-22/h3-21,25H,2H2,1H3
InChIKeyWJOXOTDGHLSWEZ-UHFFFAOYSA-N
XLogP9.63
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.60
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole with MolForge

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Related Compounds

10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole
CID 157498338
10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine
CID 177272837
2-(2-phenyl-1,3-benzoxazol-6-yl)isoindole-1,3-dione
CID 168517971
2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
CID 90201733
2-[(1E,3E,5Z)-1-(10-ethylphenazin-5-yl)hepta-1,3,5-trien-4-yl]-6-[4-(10-ethylphenazin-5-yl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 126736293
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
4,11-ditert-butyl-8-(4-tert-butylphenyl)-19-[4-(4-tert-butylphenyl)phenyl]-14-(2,6-diphenylphenyl)-20-oxa-8,14,18-triaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),18,22-decaene
CID 163791904
4,8-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;4,8-bis(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-[4-(9,9-diphenylacridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;2-(4-phenothiazin-10-ylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole;10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]acridin-9-one;10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine;6-phenyl-2-[4-(10-phenylphenazin-5-yl)phenyl]-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 160672266
5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238
5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole
CID 135041738

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The IUPAC name of 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (CID 154623001) is 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.
What is the SMILES notation for 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The canonical SMILES for 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is CCC1c2ccccc2N(c2ccc(-c3nc4cc5oc(-c6ccccc6)nc5cc4o3)cc2)c2ccccc21.
What is the InChIKey of 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The InChIKey is WJOXOTDGHLSWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3O2/c1-2-25-26-12-6-8-14-30(26)38(31-15-9-7-13-27(25)31)24-18-16-23(17-19-24)35-37-29-21-32-28(20-33(29)40-35)36-34(39-32)22-10-4-3-5-11-22/h3-21,25H,2H2,1H3.
What are the key properties of 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole has a molecular weight of 519.60 g/mol, XLogP of 9.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 154623001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).