9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C48H32N4O2 — CID 138575623

About 9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 138575623) has the molecular formula C48H32N4O2 and a molecular weight of 696.81 g/mol. Its IUPAC name is 9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 138575623
• Molecular Formula: C48H32N4O2
• Molecular Weight: 696.81 g/mol
• Exact Mass: 696.25
• IUPAC Name: 9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2O1
• InChI: InChI=1S/C48H32N4O2/c1-48(2)36-17-9-6-16-35(36)43-37(48)25-27-41-44(43)54-40-26-22-31(28-42(40)53-41)47-50-45(29-12-4-3-5-13-29)49-46(51-47)30-20-23-32(24-21-30)52-38-18-10-7-14-33(38)34-15-8-11-19-39(34)52/h3-28H,1-2H3
• InChIKey: OOBJDSHOUUACRQ-UHFFFAOYSA-N
• XLogP: 12.17
• TPSA: 62.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.81
LogP ≤ 5	12.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 138575623) is 9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is CC1(C)c2ccccc2-c2c1ccc1c2Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc2O1.

What is the InChIKey of 9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is OOBJDSHOUUACRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4O2/c1-48(2)36-17-9-6-16-35(36)43-37(48)25-27-41-44(43)54-40-26-22-31(28-42(40)53-41)47-50-45(29-12-4-3-5-13-29)49-46(51-47)30-20-23-32(24-21-30)52-38-18-10-7-14-33(38)34-15-8-11-19-39(34)52/h3-28H,1-2H3.

What are the key properties of 9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 696.81 g/mol, XLogP of 12.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 138575623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).