10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine

C57H36N6O3 — CID 155120141

About 10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine

10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine (PubChem CID 155120141) has the molecular formula C57H36N6O3 and a molecular weight of 852.95 g/mol. Its IUPAC name is 10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine.

Molecular Properties

• Compound Name: 10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine
• PubChem CID: 155120141
• Molecular Formula: C57H36N6O3
• Molecular Weight: 852.95 g/mol
• Exact Mass: 852.28
• IUPAC Name: 10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine
• SMILES: c1ccc2c(c#1)N(c1ccc(-c3nc(C4=CC=C(N5c6ccccc6Oc6ccccc65)CC4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)cc1)c1ccccc1O2
• InChI: InChI=1S/C57H36N6O3/c1-7-19-49-43(13-1)61(44-14-2-8-20-50(44)64-49)40-31-25-37(26-32-40)55-58-56(38-27-33-41(34-28-38)62-45-15-3-9-21-51(45)65-52-22-10-4-16-46(52)62)60-57(59-55)39-29-35-42(36-30-39)63-47-17-5-11-23-53(47)66-54-24-12-6-18-48(54)63/h1-5,7-17,19-27,29-33,35-36H,28,34H2
• InChIKey: GJSKGRWVQNJEFN-UHFFFAOYSA-N
• XLogP: 14.96
• TPSA: 76.08 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.95
LogP ≤ 5	14.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine?

The IUPAC name of 10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine (CID 155120141) is 10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine.

What is the SMILES notation for 10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine?

The canonical SMILES for 10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine is c1ccc2c(c#1)N(c1ccc(-c3nc(C4=CC=C(N5c6ccccc6Oc6ccccc65)CC4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)cc1)c1ccccc1O2.

What is the InChIKey of 10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine?

The InChIKey is GJSKGRWVQNJEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6O3/c1-7-19-49-43(13-1)61(44-14-2-8-20-50(44)64-49)40-31-25-37(26-32-40)55-58-56(38-27-33-41(34-28-38)62-45-15-3-9-21-51(45)65-52-22-10-4-16-46(52)62)60-57(59-55)39-29-35-42(36-30-39)63-47-17-5-11-23-53(47)66-54-24-12-6-18-48(54)63/h1-5,7-17,19-27,29-33,35-36H,28,34H2.

What are the key properties of 10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine?

10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine has a molecular weight of 852.95 g/mol, XLogP of 14.96, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[4-(4-phenoxazin-10-ylcyclohexa-1,3-dien-1-yl)-6-(4-phenoxazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2-didehydrophenoxazine is sourced from PubChem (CID 155120141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).