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

C48H28N6O2S2 — CID 129148068

About 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-[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 129148068) has the molecular formula C48H28N6O2S2 and a molecular weight of 784.93 g/mol. Its IUPAC name is 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-[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: 129148068
• Molecular Formula: C48H28N6O2S2
• Molecular Weight: 784.93 g/mol
• Exact Mass: 784.17
• IUPAC Name: 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(-c3nc4cccnc4s3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3cccnc3s2)c1
• InChI: InChI=1S/C48H28N6O2S2/c1-5-17-41-37(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/h1-28H
• InChIKey: JCLGUSSWCBVIIG-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 76.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.93
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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-[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 129148068) is 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-[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-[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(-c3nc4cccnc4s3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3cccnc3s2)c1.

What is the InChIKey of 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 JCLGUSSWCBVIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N6O2S2/c1-5-17-41-37(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/h1-28H.

What are the key properties of 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-[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 784.93 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 129148068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).