5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole

C56H24F18I2N4O4 — CID 159325810

About 5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole

5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole (PubChem CID 159325810) has the molecular formula C56H24F18I2N4O4 and a molecular weight of 1412.60 g/mol. Its IUPAC name is 5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole.

Molecular Properties

• Compound Name: 5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
• PubChem CID: 159325810
• Molecular Formula: C56H24F18I2N4O4
• Molecular Weight: 1412.60 g/mol
• Exact Mass: 1411.96
• IUPAC Name: 5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
• SMILES: Cc1cc(C(F)(F)F)ccc1-c1c2cc3nc(I)oc3c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2cc2nc(I)oc12.Cc1cc(C(F)(F)F)ccc1-c1c2cc3ncoc3c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2cc2ncoc12
• InChI: InChI=1S/C28H11F9I2N2O2.C28H13F9N2O2/c1-10-6-11(26(29,30)31)2-4-13(10)20-15-8-19-23(43-25(39)41-19)21(16(15)9-18-22(20)42-24(38)40-18)14-5-3-12(27(32,33)34)7-17(14)28(35,36)37;1-12-6-13(26(29,30)31)2-4-15(12)22-17-8-21-25(41-11-39-21)23(18(17)9-20-24(22)40-10-38-20)16-5-3-14(27(32,33)34)7-19(16)28(35,36)37/h2-9H,1H3;2-11H,1H3
• InChIKey: LEISFFZPUVXFGS-UHFFFAOYSA-N
• XLogP: 20.85
• TPSA: 104.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1412.60
LogP ≤ 5	20.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?

The IUPAC name of 5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole (CID 159325810) is 5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole.

What is the SMILES notation for 5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?

The canonical SMILES for 5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole is Cc1cc(C(F)(F)F)ccc1-c1c2cc3nc(I)oc3c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2cc2nc(I)oc12.Cc1cc(C(F)(F)F)ccc1-c1c2cc3ncoc3c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2cc2ncoc12.

What is the InChIKey of 5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?

The InChIKey is LEISFFZPUVXFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H11F9I2N2O2.C28H13F9N2O2/c1-10-6-11(26(29,30)31)2-4-13(10)20-15-8-19-23(43-25(39)41-19)21(16(15)9-18-22(20)42-24(38)40-18)14-5-3-12(27(32,33)34)7-17(14)28(35,36)37;1-12-6-13(26(29,30)31)2-4-15(12)22-17-8-21-25(41-11-39-21)23(18(17)9-20-24(22)40-10-38-20)16-5-3-14(27(32,33)34)7-19(16)28(35,36)37/h2-9H,1H3;2-11H,1H3.

What are the key properties of 5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?

5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole has a molecular weight of 1412.60 g/mol, XLogP of 20.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,4-bis(trifluoromethyl)phenyl]-2,7-diiodo-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole;5-[2,4-bis(trifluoromethyl)phenyl]-10-[2-methyl-4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole is sourced from PubChem (CID 159325810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).