bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane

C109H68F13N7O35S7 — CID 160888895

About bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane

bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane (PubChem CID 160888895) has the molecular formula C109H68F13N7O35S7 and a molecular weight of 2507.20 g/mol. Its IUPAC name is bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane.

Molecular Properties

• Compound Name: bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane
• PubChem CID: 160888895
• Molecular Formula: C109H68F13N7O35S7
• Molecular Weight: 2507.20 g/mol
• Exact Mass: 2505.16
• IUPAC Name: bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane
• SMILES: C.C.CCOS(=O)ON1C(=O)c2cccc3cccc(c23)C1=O.CCOS(=O)ON1C(=O)c2cccc3cccc(c23)C1=O.O=C1C=C(c2ccccc2)C(=O)N1OS(=O)Oc1ccccc1.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)OC(F)(F)F.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)Oc1c(F)c(F)c(F)c(F)c1F.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)Oc1ccccc1.O=C1c2ccccc2C(=O)N1OS(=O)Oc1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C18H6F5NO5S.C18H11NO5S.C16H11NO5S.C14H4F5NO5S.2C14H11NO5S.C13H6F3NO5S.2CH4/c19-11-12(20)14(22)16(15(23)13(11)21)28-30(27)29-24-17(25)8-5-1-3-7-4-2-6-9(10(7)8)18(24)26;20-17-14-10-4-6-12-7-5-11-15(16(12)14)18(21)19(17)24-25(22)23-13-8-2-1-3-9-13;18-15-11-14(12-7-3-1-4-8-12)16(19)17(15)22-23(20)21-13-9-5-2-6-10-13;15-7-8(16)10(18)12(11(19)9(7)17)24-26(23)25-20-13(21)5-3-1-2-4-6(5)14(20)22;2*1-2-19-21(18)20-15-13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17;14-13(15,16)21-23(20)22-17-11(18)8-5-1-3-7-4-2-6-9(10(7)8)12(17)19;;/h1-6H;1-11H;1-11H;1-4H;2*3-8H,2H2,1H3;1-6H;2*1H4
• InChIKey: SNZPXTPTBBKIGG-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 510.37 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2507.20
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane?

The IUPAC name of bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane (CID 160888895) is bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane.

What is the SMILES notation for bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane?

The canonical SMILES for bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane is C.C.CCOS(=O)ON1C(=O)c2cccc3cccc(c23)C1=O.CCOS(=O)ON1C(=O)c2cccc3cccc(c23)C1=O.O=C1C=C(c2ccccc2)C(=O)N1OS(=O)Oc1ccccc1.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)OC(F)(F)F.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)Oc1c(F)c(F)c(F)c(F)c1F.O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)Oc1ccccc1.O=C1c2ccccc2C(=O)N1OS(=O)Oc1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane?

The InChIKey is SNZPXTPTBBKIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6F5NO5S.C18H11NO5S.C16H11NO5S.C14H4F5NO5S.2C14H11NO5S.C13H6F3NO5S.2CH4/c19-11-12(20)14(22)16(15(23)13(11)21)28-30(27)29-24-17(25)8-5-1-3-7-4-2-6-9(10(7)8)18(24)26;20-17-14-10-4-6-12-7-5-11-15(16(12)14)18(21)19(17)24-25(22)23-13-8-2-1-3-9-13;18-15-11-14(12-7-3-1-4-8-12)16(19)17(15)22-23(20)21-13-9-5-2-6-10-13;15-7-8(16)10(18)12(11(19)9(7)17)24-26(23)25-20-13(21)5-3-1-2-4-6(5)14(20)22;2*1-2-19-21(18)20-15-13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17;14-13(15,16)21-23(20)22-17-11(18)8-5-1-3-7-4-2-6-9(10(7)8)12(17)19;;/h1-6H;1-11H;1-11H;1-4H;2*3-8H,2H2,1H3;1-6H;2*1H4.

What are the key properties of bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane?

bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane has a molecular weight of 2507.20 g/mol, XLogP of 19.06, 28 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for bis((1,3-dioxobenzo[de]isoquinolin-2-yl) ethyl sulfite);(1,3-dioxobenzo[de]isoquinolin-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) phenyl sulfite;(1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethyl sulfite;(1,3-dioxoisoindol-2-yl) (2,3,4,5,6-pentafluorophenyl) sulfite;(2,5-dioxo-3-phenylpyrrol-1-yl) phenyl sulfite;methane is sourced from PubChem (CID 160888895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).