10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine

C44H26N4O2S2 — CID 118532501

IUPAC10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine
SMILESc1ccc(-c2nc3c(N4c5ccccc5Oc5ccccc54)c4sc(-c5ccccc5)nc4c(N4c5ccccc5Oc5ccccc54)c3s2)cc1
InChIInChI=1S/C44H26N4O2S2/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)42-38(46-44(52-42)28-17-5-2-6-18-28)40(41(37)51-43)48-31-21-9-13-25-35(31)50-36-26-14-10-22-32(36)48/h1-26H
InChIKeyPVVFNDDQYINSRV-UHFFFAOYSA-N
MW706.85 g/mol
LogP13.39
Rot. Bonds4

About 10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine

10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine (PubChem CID 118532501) has the molecular formula C44H26N4O2S2 and a molecular weight of 706.85 g/mol. Its IUPAC name is 10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine.

Molecular Properties

Compound Name10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine
PubChem CID118532501
Molecular FormulaC44H26N4O2S2
Molecular Weight706.85 g/mol
Exact Mass706.15
IUPAC Name10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine
SMILESc1ccc(-c2nc3c(N4c5ccccc5Oc5ccccc54)c4sc(-c5ccccc5)nc4c(N4c5ccccc5Oc5ccccc54)c3s2)cc1
InChIInChI=1S/C44H26N4O2S2/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)42-38(46-44(52-42)28-17-5-2-6-18-28)40(41(37)51-43)48-31-21-9-13-25-35(31)50-36-26-14-10-22-32(36)48/h1-26H
InChIKeyPVVFNDDQYINSRV-UHFFFAOYSA-N
XLogP13.39
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

10-[4-[2-(4-Phenoxazin-10-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine
CID 118532498
10-[4-(6-Phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine
CID 118532558
10-(4-Phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine
CID 118532577
10-[4-[2-(4-Phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine
CID 118532581
10-[4-(5,6-Diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine
CID 118532609
10-[4-[2-(4-Phenoxazin-10-ylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine
CID 118633774
10-[8-(Benzimidazolo[1,2-a]benzimidazol-5-yl)-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-4-yl]phenoxazine
CID 123816287
10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine
CID 126731301
10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine
CID 126731318
10-[3,5-Bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine
CID 129148034
10-[3-(1,3-Benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 129148045
10-[3-Phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine
CID 129148047

Frequently Asked Questions

What is the IUPAC name of 10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine?
The IUPAC name of 10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine (CID 118532501) is 10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine.
What is the SMILES notation for 10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine?
The canonical SMILES for 10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine is c1ccc(-c2nc3c(N4c5ccccc5Oc5ccccc54)c4sc(-c5ccccc5)nc4c(N4c5ccccc5Oc5ccccc54)c3s2)cc1.
What is the InChIKey of 10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine?
The InChIKey is PVVFNDDQYINSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O2S2/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)42-38(46-44(52-42)28-17-5-2-6-18-28)40(41(37)51-43)48-31-21-9-13-25-35(31)50-36-26-14-10-22-32(36)48/h1-26H.
What are the key properties of 10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine?
10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine has a molecular weight of 706.85 g/mol, XLogP of 13.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenoxazin-10-yl-2,6-diphenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-8-yl)phenoxazine is sourced from PubChem (CID 118532501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).