10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine

C44H26N4O3S — CID 118532545

IUPAC10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine
SMILESc1ccc(-c2nc3c(N4c5ccccc5Sc5ccccc54)c4oc(-c5ccccc5)nc4c(N4c5ccccc5Oc5ccccc54)c3o2)cc1
InChIInChI=1S/C44H26N4O3S/c1-3-15-27(16-4-1)43-45-37-39(47-29-19-7-11-23-33(29)49-34-24-12-8-20-30(34)47)41-38(46-44(50-41)28-17-5-2-6-18-28)40(42(37)51-43)48-31-21-9-13-25-35(31)52-36-26-14-10-22-32(36)48/h1-26H
InChIKeyLSPBZHHOOSGUGR-UHFFFAOYSA-N
MW690.78 g/mol
LogP12.81
Rot. Bonds4

About 10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine

10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine (PubChem CID 118532545) has the molecular formula C44H26N4O3S and a molecular weight of 690.78 g/mol. Its IUPAC name is 10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine.

Molecular Properties

Compound Name10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine
PubChem CID118532545
Molecular FormulaC44H26N4O3S
Molecular Weight690.78 g/mol
Exact Mass690.17
IUPAC Name10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine
SMILESc1ccc(-c2nc3c(N4c5ccccc5Sc5ccccc54)c4oc(-c5ccccc5)nc4c(N4c5ccccc5Oc5ccccc54)c3o2)cc1
InChIInChI=1S/C44H26N4O3S/c1-3-15-27(16-4-1)43-45-37-39(47-29-19-7-11-23-33(29)49-34-24-12-8-20-30(34)47)41-38(46-44(50-41)28-17-5-2-6-18-28)40(42(37)51-43)48-31-21-9-13-25-35(31)52-36-26-14-10-22-32(36)48/h1-26H
InChIKeyLSPBZHHOOSGUGR-UHFFFAOYSA-N
XLogP12.81
TPSA67.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.78
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylphenyl]phenoxazine
CID 118528544
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 129291663
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129291660
10-[3-phenothiazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
CID 118528548
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
10-(4-phenothiazin-10-yl-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl)phenothiazine
CID 118532565
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 159416067
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
11-phenyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140893612
16-oxa-2,19-dithia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
CID 134560400
4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine
CID 159303566

Frequently Asked Questions

What is the IUPAC name of 10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine?
The IUPAC name of 10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine (CID 118532545) is 10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine.
What is the SMILES notation for 10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine?
The canonical SMILES for 10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine is c1ccc(-c2nc3c(N4c5ccccc5Sc5ccccc54)c4oc(-c5ccccc5)nc4c(N4c5ccccc5Oc5ccccc54)c3o2)cc1.
What is the InChIKey of 10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine?
The InChIKey is LSPBZHHOOSGUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O3S/c1-3-15-27(16-4-1)43-45-37-39(47-29-19-7-11-23-33(29)49-34-24-12-8-20-30(34)47)41-38(46-44(50-41)28-17-5-2-6-18-28)40(42(37)51-43)48-31-21-9-13-25-35(31)52-36-26-14-10-22-32(36)48/h1-26H.
What are the key properties of 10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine?
10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine has a molecular weight of 690.78 g/mol, XLogP of 12.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenothiazin-10-yl-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-8-yl)phenoxazine is sourced from PubChem (CID 118532545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).