4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine

C70H44N8O4 — CID 146530417

IUPAC4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nnc(-c3ccc(N4c5ccccc5Oc5c(-c6cccc7c6Oc6ccccc6N7c6ccc(-c7nnc(-c8ccc(N9c%10ccccc%10Oc%10ccccc%109)cc8)o7)cc6)cccc54)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C70H44N8O4/c1-3-17-45(18-4-1)67-71-72-68(78(67)49-19-5-2-6-20-49)46-33-39-51(40-34-46)76-57-25-9-13-31-63(57)80-65-53(21-15-27-59(65)76)54-22-16-28-60-66(54)81-64-32-14-10-26-58(64)77(60)52-43-37-48(38-44-52)70-74-73-69(82-70)47-35-41-50(42-36-47)75-55-23-7-11-29-61(55)79-62-30-12-8-24-56(62)75/h1-44H
InChIKeyPWOMYPZOEXIOQJ-UHFFFAOYSA-N
MW1061.17 g/mol
LogP18.71
Rot. Bonds9

About 4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine

4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine (PubChem CID 146530417) has the molecular formula C70H44N8O4 and a molecular weight of 1061.17 g/mol. Its IUPAC name is 4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
PubChem CID146530417
Molecular FormulaC70H44N8O4
Molecular Weight1061.17 g/mol
Exact Mass1060.35
IUPAC Name4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nnc(-c3ccc(N4c5ccccc5Oc5c(-c6cccc7c6Oc6ccccc6N7c6ccc(-c7nnc(-c8ccc(N9c%10ccccc%10Oc%10ccccc%109)cc8)o7)cc6)cccc54)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C70H44N8O4/c1-3-17-45(18-4-1)67-71-72-68(78(67)49-19-5-2-6-20-49)46-33-39-51(40-34-46)76-57-25-9-13-31-63(57)80-65-53(21-15-27-59(65)76)54-22-16-28-60-66(54)81-64-32-14-10-26-58(64)77(60)52-43-37-48(38-44-52)70-74-73-69(82-70)47-35-41-50(42-36-47)75-55-23-7-11-29-61(55)79-62-30-12-8-24-56(62)75/h1-44H
InChIKeyPWOMYPZOEXIOQJ-UHFFFAOYSA-N
XLogP18.71
TPSA107.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001061.17
LogP ≤ 518.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine with MolForge

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Related Compounds

2-[4-[3-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenylphenazin-2-yl]-10-phenylphenazin-5-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 129156625
2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole
CID 58692859
5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine
CID 118898296
4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
CID 142315334
11-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-8H-cyclohepta[b][1,4]benzoxazine
CID 131970912
10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine
CID 167214852
10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine
CID 139312569
10-[5-(2,6-diphenylpyrimidin-4-yl)-2-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenoxazin-10-ylphenyl]phenyl]-4-[4-[10-[5-(4,6-diphenylpyrimidin-2-yl)-2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(10-phenylphenazin-5-yl)phenyl]phenyl]phenazin-5-yl]phenyl]phenoxazine
CID 129302367
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine
CID 118281982
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole
CID 157458511

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
The IUPAC name of 4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine (CID 146530417) is 4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
The canonical SMILES for 4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine is c1ccc(-c2nnc(-c3ccc(N4c5ccccc5Oc5c(-c6cccc7c6Oc6ccccc6N7c6ccc(-c7nnc(-c8ccc(N9c%10ccccc%10Oc%10ccccc%109)cc8)o7)cc6)cccc54)cc3)n2-c2ccccc2)cc1.
What is the InChIKey of 4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
The InChIKey is PWOMYPZOEXIOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N8O4/c1-3-17-45(18-4-1)67-71-72-68(78(67)49-19-5-2-6-20-49)46-33-39-51(40-34-46)76-57-25-9-13-31-63(57)80-65-53(21-15-27-59(65)76)54-22-16-28-60-66(54)81-64-32-14-10-26-58(64)77(60)52-43-37-48(38-44-52)70-74-73-69(82-70)47-35-41-50(42-36-47)75-55-23-7-11-29-61(55)79-62-30-12-8-24-56(62)75/h1-44H.
What are the key properties of 4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine has a molecular weight of 1061.17 g/mol, XLogP of 18.71, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 146530417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).