10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine

C29H22N4O2 — CID 121245064

IUPAC10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2noc(N3c4ccccc4Oc4ccccc43)n2)c2ccccc21
InChIInChI=1S/C29H22N4O2/c1-29(2)19-11-3-5-13-21(19)32(22-14-6-4-12-20(22)29)27-30-28(35-31-27)33-23-15-7-9-17-25(23)34-26-18-10-8-16-24(26)33/h3-18H,1-2H3
InChIKeyKHODMLPBFXSXCL-UHFFFAOYSA-N
MW458.52 g/mol
LogP7.75
Rot. Bonds2

About 10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine

10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine (PubChem CID 121245064) has the molecular formula C29H22N4O2 and a molecular weight of 458.52 g/mol. Its IUPAC name is 10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine.

Molecular Properties

Compound Name10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine
PubChem CID121245064
Molecular FormulaC29H22N4O2
Molecular Weight458.52 g/mol
Exact Mass458.17
IUPAC Name10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2noc(N3c4ccccc4Oc4ccccc43)n2)c2ccccc21
InChIInChI=1S/C29H22N4O2/c1-29(2)19-11-3-5-13-21(19)32(22-14-6-4-12-20(22)29)27-30-28(35-31-27)33-23-15-7-9-17-25(23)34-26-18-10-8-16-24(26)33/h3-18H,1-2H3
InChIKeyKHODMLPBFXSXCL-UHFFFAOYSA-N
XLogP7.75
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293
14,14-dimethyl-N,N-bis(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine
CID 170656655
10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine
CID 168759465
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
CID 134579019
14,14-dimethyl-N-phenyl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine
CID 170656393
4,6-bis(3,6-dimethoxycarbazol-9-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-bis(9,9-dimethylacridin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine;4,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-amine
CID 167544053
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158041243
10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine
CID 59399668
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158328207
14,14-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-12-amine
CID 170656648

Frequently Asked Questions

What is the IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine?
The IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine (CID 121245064) is 10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine.
What is the SMILES notation for 10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine?
The canonical SMILES for 10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine is CC1(C)c2ccccc2N(c2noc(N3c4ccccc4Oc4ccccc43)n2)c2ccccc21.
What is the InChIKey of 10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine?
The InChIKey is KHODMLPBFXSXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O2/c1-29(2)19-11-3-5-13-21(19)32(22-14-6-4-12-20(22)29)27-30-28(35-31-27)33-23-15-7-9-17-25(23)34-26-18-10-8-16-24(26)33/h3-18H,1-2H3.
What are the key properties of 10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine?
10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine has a molecular weight of 458.52 g/mol, XLogP of 7.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine is sourced from PubChem (CID 121245064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).