(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole

C143H122F12I6O23P6 — CID 158205988

About (2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole

(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole (PubChem CID 158205988) has the molecular formula C143H122F12I6O23P6 and a molecular weight of 3383.77 g/mol. Its IUPAC name is (2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole.

Molecular Properties

• Compound Name: (2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole
• PubChem CID: 158205988
• Molecular Formula: C143H122F12I6O23P6
• Molecular Weight: 3383.77 g/mol
• Exact Mass: 3382.09
• IUPAC Name: (2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole
• SMILES: COc1cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c(I)c2c1OC(F)(F)O2.COc1cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c(I)c2c1OC(F)(F)O2.COc1cc(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c(I)c2c1OC(F)(F)O2.COc1cc(P(c2ccc(C)cc2)c2ccc(C)cc2)c(I)c2c1OC(F)(F)O2.Cc1cc(P(=O)(c2ccccc2)c2ccccc2)c(I)c2c1OC(F)(F)O2.O=P(c1ccccc1)(c1ccccc1)c1cc(Oc2ccccc2)c2c(c1I)OC(F)(F)O2
• InChI: InChI=1S/2C26H26F2IO5P.C25H16F2IO4P.C24H22F2IO3P.C22H18F2IO3P.C20H14F2IO3P/c2*1-13-8-17(9-14(2)22(13)31-6)35(18-10-15(3)23(32-7)16(4)11-18)20-12-19(30-5)24-25(21(20)29)34-26(27,28)33-24;26-25(27)31-23-20(30-17-10-4-1-5-11-17)16-21(22(28)24(23)32-25)33(29,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-13-6-14(2)9-17(8-13)31(18-10-15(3)7-16(4)11-18)20-12-19(28-5)22-23(21(20)27)30-24(25,26)29-22;1-13-4-8-15(9-5-13)29(16-10-6-14(2)7-11-16)18-12-17(26-3)20-21(19(18)25)28-22(23,24)27-20;1-13-12-16(17(23)19-18(13)25-20(21,22)26-19)27(24,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2*8-12H,1-7H3;1-16H;6-12H,1-5H3;4-12H,1-3H3;2-12H,1H3
• InChIKey: GBMRMDYJNLIOFR-UHFFFAOYSA-N
• XLogP: 32.48
• TPSA: 227.97 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3383.77
LogP ≤ 5	32.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole?

The IUPAC name of (2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole (CID 158205988) is (2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole.

What is the SMILES notation for (2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole?

The canonical SMILES for (2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole is COc1cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c(I)c2c1OC(F)(F)O2.COc1cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c(I)c2c1OC(F)(F)O2.COc1cc(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c(I)c2c1OC(F)(F)O2.COc1cc(P(c2ccc(C)cc2)c2ccc(C)cc2)c(I)c2c1OC(F)(F)O2.Cc1cc(P(=O)(c2ccccc2)c2ccccc2)c(I)c2c1OC(F)(F)O2.O=P(c1ccccc1)(c1ccccc1)c1cc(Oc2ccccc2)c2c(c1I)OC(F)(F)O2.

What is the InChIKey of (2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole?

The InChIKey is GBMRMDYJNLIOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26F2IO5P.C25H16F2IO4P.C24H22F2IO3P.C22H18F2IO3P.C20H14F2IO3P/c2*1-13-8-17(9-14(2)22(13)31-6)35(18-10-15(3)23(32-7)16(4)11-18)20-12-19(30-5)24-25(21(20)29)34-26(27,28)33-24;26-25(27)31-23-20(30-17-10-4-1-5-11-17)16-21(22(28)24(23)32-25)33(29,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-13-6-14(2)9-17(8-13)31(18-10-15(3)7-16(4)11-18)20-12-19(28-5)22-23(21(20)27)30-24(25,26)29-22;1-13-4-8-15(9-5-13)29(16-10-6-14(2)7-11-16)18-12-17(26-3)20-21(19(18)25)28-22(23,24)27-20;1-13-12-16(17(23)19-18(13)25-20(21,22)26-19)27(24,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2*8-12H,1-7H3;1-16H;6-12H,1-5H3;4-12H,1-3H3;2-12H,1H3.

What are the key properties of (2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole?

(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole has a molecular weight of 3383.77 g/mol, XLogP of 32.48, 28 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(3,5-dimethylphenyl)phosphane;bis((2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methoxy-3,5-dimethylphenyl)phosphane);(2,2-difluoro-4-iodo-7-methoxy-1,3-benzodioxol-5-yl)-bis(4-methylphenyl)phosphane;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-methyl-1,3-benzodioxole;5-diphenylphosphoryl-2,2-difluoro-4-iodo-7-phenoxy-1,3-benzodioxole is sourced from PubChem (CID 158205988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).