10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine

C146H86N16O10S2 — CID 158684957

IUPAC10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ccccc4s3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3ccccc3s2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4cnccc4o3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3cnccc3o2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ncccc4o3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C50H30N4O2S2.2C48H28N6O4/c1-11-23-47-37(13-1)51-49(57-47)33-25-31(27-35(29-33)53-39-15-3-7-19-43(39)55-44-20-8-4-16-40(44)53)32-26-34(50-52-38-14-2-12-24-48(38)58-50)30-36(28-32)54-41-17-5-9-21-45(41)56-46-22-10-6-18-42(46)54;1-5-15-39-35(11-1)53(36-12-2-6-16-40(36)55-39)33-25-29(23-31(27-33)47-51-45-43(57-47)19-9-21-49-45)30-24-32(48-52-46-44(58-48)20-10-22-50-46)28-34(26-30)54-37-13-3-7-17-41(37)56-42-18-8-4-14-38(42)54;1-5-13-43-37(9-1)53(38-10-2-6-14-44(38)55-43)33-23-29(21-31(25-33)47-51-35-27-49-19-17-41(35)57-47)30-22-32(48-52-36-28-50-20-18-42(36)58-48)26-34(24-30)54-39-11-3-7-15-45(39)56-46-16-8-4-12-40(46)54/h1-30H;2*1-28H
InChIKeyIFPSEOAQRGPYFE-UHFFFAOYSA-N
MW2288.53 g/mol
LogP40.88
Rot. Bonds15

About 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine

10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine (PubChem CID 158684957) has the molecular formula C146H86N16O10S2 and a molecular weight of 2288.53 g/mol. Its IUPAC name is 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
PubChem CID158684957
Molecular FormulaC146H86N16O10S2
Molecular Weight2288.53 g/mol
Exact Mass2286.62
IUPAC Name10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ccccc4s3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3ccccc3s2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4cnccc4o3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3cnccc3o2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ncccc4o3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C50H30N4O2S2.2C48H28N6O4/c1-11-23-47-37(13-1)51-49(57-47)33-25-31(27-35(29-33)53-39-15-3-7-19-43(39)55-44-20-8-4-16-40(44)53)32-26-34(50-52-38-14-2-12-24-48(38)58-50)30-36(28-32)54-41-17-5-9-21-45(41)56-46-22-10-6-18-42(46)54;1-5-15-39-35(11-1)53(36-12-2-6-16-40(36)55-39)33-25-29(23-31(27-33)47-51-45-43(57-47)19-9-21-49-45)30-24-32(48-52-46-44(58-48)20-10-22-50-46)28-34(26-30)54-37-13-3-7-17-41(37)56-42-18-8-4-14-38(42)54;1-5-13-43-37(9-1)53(38-10-2-6-14-44(38)55-43)33-23-29(21-31(25-33)47-51-35-27-49-19-17-41(35)57-47)30-22-32(48-52-36-28-50-20-18-42(36)58-48)26-34(24-30)54-39-11-3-7-15-45(39)56-46-16-8-4-12-40(46)54/h1-30H;2*1-28H
InChIKeyIFPSEOAQRGPYFE-UHFFFAOYSA-N
XLogP40.88
TPSA256.28 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002288.53
LogP ≤ 540.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine?
The IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine (CID 158684957) is 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ccccc4s3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3ccccc3s2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4cnccc4o3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3cnccc3o2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ncccc4o3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3ncccc3o2)c1.
What is the InChIKey of 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine?
The InChIKey is IFPSEOAQRGPYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2S2.2C48H28N6O4/c1-11-23-47-37(13-1)51-49(57-47)33-25-31(27-35(29-33)53-39-15-3-7-19-43(39)55-44-20-8-4-16-40(44)53)32-26-34(50-52-38-14-2-12-24-48(38)58-50)30-36(28-32)54-41-17-5-9-21-45(41)56-46-22-10-6-18-42(46)54;1-5-15-39-35(11-1)53(36-12-2-6-16-40(36)55-39)33-25-29(23-31(27-33)47-51-45-43(57-47)19-9-21-49-45)30-24-32(48-52-46-44(58-48)20-10-22-50-46)28-34(26-30)54-37-13-3-7-17-41(37)56-42-18-8-4-14-38(42)54;1-5-13-43-37(9-1)53(38-10-2-6-14-44(38)55-43)33-23-29(21-31(25-33)47-51-35-27-49-19-17-41(35)57-47)30-22-32(48-52-36-28-50-20-18-42(36)58-48)26-34(24-30)54-39-11-3-7-15-45(39)56-46-16-8-4-12-40(46)54/h1-30H;2*1-28H.
What are the key properties of 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine?
10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine has a molecular weight of 2288.53 g/mol, XLogP of 40.88, 15 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine is sourced from PubChem (CID 158684957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).