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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine

C146H86N16O8S4 — CID 158141692

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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 158141692) has the molecular formula C146H86N16O8S4 and a molecular weight of 2320.67 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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine.

Molecular Properties

• Compound Name: 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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine
• PubChem CID: 158141692
• Molecular Formula: C146H86N16O8S4
• Molecular Weight: 2320.67 g/mol
• Exact Mass: 2318.57
• IUPAC Name: 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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine
• SMILES: c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ccccc4s3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3ccccc3s2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4cccnc4s3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3cccnc3s2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ncccc4o3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3ncccc3o2)c1
• InChI: InChI=1S/C50H30N4O2S2.C48H28N6O4.C48H28N6O2S2/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;1-5-17-41-37(13-1)53(38-14-2-6-18-42(38)55-41)33-25-29(23-31(27-33)45-51-35-11-9-21-49-47(35)57-45)30-24-32(46-52-36-12-10-22-50-48(36)58-46)28-34(26-30)54-39-15-3-7-19-43(39)56-44-20-8-4-16-40(44)54/h1-30H;2*1-28H
• InChIKey: FUADYQZRCMZWAN-UHFFFAOYSA-N
• XLogP: 41.82
• TPSA: 230.00 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2320.67
LogP ≤ 5	41.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine (CID 158141692) 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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ccccc4s3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3ccccc3s2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4cccnc4s3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3cccnc3s2)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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine?

The InChIKey is FUADYQZRCMZWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2S2.C48H28N6O4.C48H28N6O2S2/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;1-5-17-41-37(13-1)53(38-14-2-6-18-42(38)55-41)33-25-29(23-31(27-33)45-51-35-11-9-21-49-47(35)57-45)30-24-32(46-52-36-12-10-22-50-48(36)58-46)28-34(26-30)54-39-15-3-7-19-43(39)56-44-20-8-4-16-40(44)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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine has a molecular weight of 2320.67 g/mol, XLogP of 41.82, 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-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 158141692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).