2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

C40H27N3O2 — CID 138576172

About 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 138576172) has the molecular formula C40H27N3O2 and a molecular weight of 581.68 g/mol. Its IUPAC name is 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 138576172
• Molecular Formula: C40H27N3O2
• Molecular Weight: 581.68 g/mol
• Exact Mass: 581.21
• IUPAC Name: 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2nc(-c3ccccc3)nc(-c3cccc4ccccc34)n2)O1
• InChI: InChI=1S/C40H27N3O2/c1-40(2)30-20-9-8-17-28(30)34-31(40)22-23-33-36(34)45-35-29(19-11-21-32(35)44-33)39-42-37(25-13-4-3-5-14-25)41-38(43-39)27-18-10-15-24-12-6-7-16-26(24)27/h3-23H,1-2H3
• InChIKey: HGTGJAGWTVYCIV-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 57.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.68
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (CID 138576172) is 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2nc(-c3ccccc3)nc(-c3cccc4ccccc34)n2)O1.

What is the InChIKey of 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?

The InChIKey is HGTGJAGWTVYCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O2/c1-40(2)30-20-9-8-17-28(30)34-31(40)22-23-33-36(34)45-35-29(19-11-21-32(35)44-33)39-42-37(25-13-4-3-5-14-25)41-38(43-39)27-18-10-15-24-12-6-7-16-26(24)27/h3-23H,1-2H3.

What are the key properties of 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?

2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 581.68 g/mol, XLogP of 10.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 138576172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).