10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine

C41H29N3O3 — CID 155416290

IUPAC10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1C2CCc1ccc(-c2nnc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)o2)cc1
InChIInChI=1S/C41H29N3O3/c1-5-13-36-32(9-1)31(33-10-2-6-14-37(33)45-36)26-19-27-17-20-28(21-18-27)40-42-43-41(47-40)29-22-24-30(25-23-29)44-34-11-3-7-15-38(34)46-39-16-8-4-12-35(39)44/h1-18,20-25,31H,19,26H2
InChIKeyDBZVJSNAHVAWMX-UHFFFAOYSA-N
MW611.70 g/mol
LogP10.85
Rot. Bonds6

About 10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine

10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine (PubChem CID 155416290) has the molecular formula C41H29N3O3 and a molecular weight of 611.70 g/mol. Its IUPAC name is 10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
PubChem CID155416290
Molecular FormulaC41H29N3O3
Molecular Weight611.70 g/mol
Exact Mass611.22
IUPAC Name10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1C2CCc1ccc(-c2nnc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)o2)cc1
InChIInChI=1S/C41H29N3O3/c1-5-13-36-32(9-1)31(33-10-2-6-14-37(33)45-36)26-19-27-17-20-28(21-18-27)40-42-43-41(47-40)29-22-24-30(25-23-29)44-34-11-3-7-15-38(34)46-39-16-8-4-12-35(39)44/h1-18,20-25,31H,19,26H2
InChIKeyDBZVJSNAHVAWMX-UHFFFAOYSA-N
XLogP10.85
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.70
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine with MolForge

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Related Compounds

10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 123917393
11-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-8H-cyclohepta[b][1,4]benzoxazine
CID 131970912
10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine
CID 152549860
10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine
CID 118281982
10-[4-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528361
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
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
2,5-bis[4-(10-phenylbenzo[b][1,4]benzazaborinin-5-yl)phenyl]-1,3,4-oxadiazole
CID 162263168
10-[3,4,5-tris(4-propylphenyl)phenyl]phenoxazine
CID 58251166
10-(4-fluorophenyl)phenoxazine
CID 141389969
2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
CID 155034855

Frequently Asked Questions

What is the IUPAC name of 10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine (CID 155416290) is 10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1C2CCc1ccc(-c2nnc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)o2)cc1.
What is the InChIKey of 10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
The InChIKey is DBZVJSNAHVAWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3O3/c1-5-13-36-32(9-1)31(33-10-2-6-14-37(33)45-36)26-19-27-17-20-28(21-18-27)40-42-43-41(47-40)29-22-24-30(25-23-29)44-34-11-3-7-15-38(34)46-39-16-8-4-12-35(39)44/h1-18,20-25,31H,19,26H2.
What are the key properties of 10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine has a molecular weight of 611.70 g/mol, XLogP of 10.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[5-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 155416290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).