10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]

C78H48N8O4 — CID 162064319

About 10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]

10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] (PubChem CID 162064319) has the molecular formula C78H48N8O4 and a molecular weight of 1161.29 g/mol. Its IUPAC name is 10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine].

Molecular Properties

• Compound Name: 10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]
• PubChem CID: 162064319
• Molecular Formula: C78H48N8O4
• Molecular Weight: 1161.29 g/mol
• Exact Mass: 1160.38
• IUPAC Name: 10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc64)c4ccoc4-c4occc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc53)c3ccoc3-c3occc34)n2)cc1
• InChI: InChI=1S/C42H26N4O2.C36H22N4O2/c1-3-11-27(12-4-1)39-43-40(28-13-5-2-6-14-28)45-41(44-39)29-19-21-30(22-20-29)46-35-17-9-7-15-31(35)42(32-16-8-10-18-36(32)46)33-23-25-47-37(33)38-34(42)24-26-48-38;1-3-11-23(12-4-1)33-37-34(24-13-5-2-6-14-24)39-35(38-33)40-29-17-9-7-15-25(29)36(26-16-8-10-18-30(26)40)27-19-21-41-31(27)32-28(36)20-22-42-32/h1-26H;1-22H
• InChIKey: ZAGGPIDPIDRYGY-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 136.38 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1161.29
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]?

The IUPAC name of 10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] (CID 162064319) is 10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine].

What is the SMILES notation for 10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]?

The canonical SMILES for 10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc64)c4ccoc4-c4occc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4C4(c5ccccc53)c3ccoc3-c3occc34)n2)cc1.

What is the InChIKey of 10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]?

The InChIKey is ZAGGPIDPIDRYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2.C36H22N4O2/c1-3-11-27(12-4-1)39-43-40(28-13-5-2-6-14-28)45-41(44-39)29-19-21-30(22-20-29)46-35-17-9-7-15-31(35)42(32-16-8-10-18-36(32)46)33-23-25-47-37(33)38-34(42)24-26-48-38;1-3-11-23(12-4-1)33-37-34(24-13-5-2-6-14-24)39-35(38-33)40-29-17-9-7-15-25(29)36(26-16-8-10-18-30(26)40)27-19-21-41-31(27)32-28(36)20-22-42-32/h1-26H;1-22H.

What are the key properties of 10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine]?

10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] has a molecular weight of 1161.29 g/mol, XLogP of 18.74, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 10'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,11-dioxatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-acridine] is sourced from PubChem (CID 162064319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).