1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine

C49H28N8O4S — CID 141435219

About 1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine

1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine (PubChem CID 141435219) has the molecular formula C49H28N8O4S and a molecular weight of 824.88 g/mol. Its IUPAC name is 1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine.

Molecular Properties

• Compound Name: 1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine
• PubChem CID: 141435219
• Molecular Formula: C49H28N8O4S
• Molecular Weight: 824.88 g/mol
• Exact Mass: 824.20
• IUPAC Name: 1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine
• SMILES: c1ccc2c(c1)Nc1c(cccc1-c1c3c(c(-c4conn4)c(-c4ncco4)c1-c1cccc4c1Nc1ccccc1O4)Sc1c(cccc1-c1ccc4cccnc4n1)N3)O2
• InChI: InChI=1S/C49H28N8O4S/c1-3-16-35-31(13-1)52-43-28(11-6-18-37(43)60-35)39-40(29-12-7-19-38-44(29)53-32-14-2-4-17-36(32)61-38)45-47(41(34-25-59-57-56-34)42(39)49-51-23-24-58-49)62-46-27(10-5-15-33(46)54-45)30-21-20-26-9-8-22-50-48(26)55-30/h1-25,52-54H
• InChIKey: ZBIKNOKAUPMDJD-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 145.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	824.88
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine?

The IUPAC name of 1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine (CID 141435219) is 1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine.

What is the SMILES notation for 1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine?

The canonical SMILES for 1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine is c1ccc2c(c1)Nc1c(cccc1-c1c3c(c(-c4conn4)c(-c4ncco4)c1-c1cccc4c1Nc1ccccc1O4)Sc1c(cccc1-c1ccc4cccnc4n1)N3)O2.

What is the InChIKey of 1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine?

The InChIKey is ZBIKNOKAUPMDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N8O4S/c1-3-16-35-31(13-1)52-43-28(11-6-18-37(43)60-35)39-40(29-12-7-19-38-44(29)53-32-14-2-4-17-36(32)61-38)45-47(41(34-25-59-57-56-34)42(39)49-51-23-24-58-49)62-46-27(10-5-15-33(46)54-45)30-21-20-26-9-8-22-50-48(26)55-30/h1-25,52-54H.

What are the key properties of 1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine?

1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine has a molecular weight of 824.88 g/mol, XLogP of 13.24, 5 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(1,8-naphthyridin-2-yl)-4-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-1-(10H-phenoxazin-1-yl)-10H-phenothiazin-2-yl]-10H-phenoxazine is sourced from PubChem (CID 141435219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).