10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine

C60H41N5O3 — CID 123917393

About 10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine

10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine (PubChem CID 123917393) has the molecular formula C60H41N5O3 and a molecular weight of 880.02 g/mol. Its IUPAC name is 10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine.

Molecular Properties

• Compound Name: 10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
• PubChem CID: 123917393
• Molecular Formula: C60H41N5O3
• Molecular Weight: 880.02 g/mol
• Exact Mass: 879.32
• IUPAC Name: 10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
• SMILES: c1ccc2c(c1)Oc1ccccc1C2CCc1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1
• InChI: InChI=1S/C60H41N5O3/c1-7-19-52-46(13-1)45(47-14-2-8-20-53(47)66-52)38-27-39-25-28-40(29-26-39)58-61-59(41-30-34-43(35-31-41)64-48-15-3-9-21-54(48)67-55-22-10-4-16-49(55)64)63-60(62-58)42-32-36-44(37-33-42)65-50-17-5-11-23-56(50)68-57-24-12-6-18-51(57)65/h1-26,28-37,45H,27,38H2
• InChIKey: RFYIAEAVYSAIIO-UHFFFAOYSA-N
• XLogP: 15.89
• TPSA: 72.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.02
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine?

The IUPAC name of 10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine (CID 123917393) is 10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine.

What is the SMILES notation for 10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine?

The canonical SMILES for 10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1C2CCc1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)n2)cc1.

What is the InChIKey of 10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine?

The InChIKey is RFYIAEAVYSAIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N5O3/c1-7-19-52-46(13-1)45(47-14-2-8-20-53(47)66-52)38-27-39-25-28-40(29-26-39)58-61-59(41-30-34-43(35-31-41)64-48-15-3-9-21-54(48)67-55-22-10-4-16-49(55)64)63-60(62-58)42-32-36-44(37-33-42)65-50-17-5-11-23-56(50)68-57-24-12-6-18-51(57)65/h1-26,28-37,45H,27,38H2.

What are the key properties of 10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine?

10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine has a molecular weight of 880.02 g/mol, XLogP of 15.89, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[4-(4-phenoxazin-10-ylphenyl)-6-[4-[2-(9H-xanthen-9-yl)ethyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 123917393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).