10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine

C63H39N11OS — CID 129291767

About 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine

10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine (PubChem CID 129291767) has the molecular formula C63H39N11OS and a molecular weight of 998.15 g/mol. Its IUPAC name is 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine.

Molecular Properties

• Compound Name: 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine
• PubChem CID: 129291767
• Molecular Formula: C63H39N11OS
• Molecular Weight: 998.15 g/mol
• Exact Mass: 997.31
• IUPAC Name: 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine
• SMILES: c1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4cc(-c5nc(-c6cccnc6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)nc1
• InChI: InChI=1S/C63H39N11OS/c1-5-24-56-52(20-1)73(53-21-2-6-25-57(53)75-56)45-34-41(32-43(36-45)61-68-50(47-17-9-12-29-65-47)38-51(69-61)48-18-10-13-30-66-48)42-33-44(37-46(35-42)74-54-22-3-7-26-58(54)76-59-27-8-4-23-55(59)74)62-70-60(40-16-15-28-64-39-40)71-63(72-62)49-19-11-14-31-67-49/h1-39H
• InChIKey: UEQWJFSVVNGLMB-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 131.72 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	998.15
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine?

The IUPAC name of 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine (CID 129291767) is 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine.

What is the SMILES notation for 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine?

The canonical SMILES for 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine is c1ccc(-c2cc(-c3ccccn3)nc(-c3cc(-c4cc(-c5nc(-c6cccnc6)nc(-c6ccccn6)n5)cc(N5c6ccccc6Sc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)n2)nc1.

What is the InChIKey of 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine?

The InChIKey is UEQWJFSVVNGLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N11OS/c1-5-24-56-52(20-1)73(53-21-2-6-25-57(53)75-56)45-34-41(32-43(36-45)61-68-50(47-17-9-12-29-65-47)38-51(69-61)48-18-10-13-30-66-48)42-33-44(37-46(35-42)74-54-22-3-7-26-58(54)76-59-27-8-4-23-55(59)74)62-70-60(40-16-15-28-64-39-40)71-63(72-62)49-19-11-14-31-67-49/h1-39H.

What are the key properties of 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine?

10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine has a molecular weight of 998.15 g/mol, XLogP of 15.42, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-5-[3-phenothiazin-10-yl-5-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 129291767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).