10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine

C32H19N3O3 — CID 118532619

IUPAC10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc3cc4oc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc3o2)cc1
InChIInChI=1S/C32H19N3O3/c1-2-8-20(9-3-1)31-33-23-18-30-24(19-29(23)37-31)34-32(38-30)21-14-16-22(17-15-21)35-25-10-4-6-12-27(25)36-28-13-7-5-11-26(28)35/h1-19H
InChIKeyMDZZICUWDGLTQV-UHFFFAOYSA-N
MW493.52 g/mol
LogP8.88
Rot. Bonds3

About 10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine

10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine (PubChem CID 118532619) has the molecular formula C32H19N3O3 and a molecular weight of 493.52 g/mol. Its IUPAC name is 10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
PubChem CID118532619
Molecular FormulaC32H19N3O3
Molecular Weight493.52 g/mol
Exact Mass493.14
IUPAC Name10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc3cc4oc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc3o2)cc1
InChIInChI=1S/C32H19N3O3/c1-2-8-20(9-3-1)31-33-23-18-30-24(19-29(23)37-31)34-32(38-30)21-14-16-22(17-15-21)35-25-10-4-6-12-27(25)36-28-13-7-5-11-26(28)35/h1-19H
InChIKeyMDZZICUWDGLTQV-UHFFFAOYSA-N
XLogP8.88
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.52
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
CID 90201733
10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine
CID 177272837
2-[4-(9-ethyl-9H-acridin-10-yl)phenyl]-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 154623001
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148033
10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 137473462
2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole
CID 157498338
10-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
CID 159209827
10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine
CID 152549860
2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
CID 155028602
10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole
CID 159198907

Frequently Asked Questions

What is the IUPAC name of 10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine (CID 118532619) is 10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine is c1ccc(-c2nc3cc4oc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc3o2)cc1.
What is the InChIKey of 10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine?
The InChIKey is MDZZICUWDGLTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3O3/c1-2-8-20(9-3-1)31-33-23-18-30-24(19-29(23)37-31)34-32(38-30)21-14-16-22(17-15-21)35-25-10-4-6-12-27(25)36-28-13-7-5-11-26(28)35/h1-19H.
What are the key properties of 10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine?
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine has a molecular weight of 493.52 g/mol, XLogP of 8.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 118532619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).