9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid

C142H124F8N10O28P5S+ — CID 157206046

About 9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid

9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid (PubChem CID 157206046) has the molecular formula C142H124F8N10O28P5S+ and a molecular weight of 2757.52 g/mol. Its IUPAC name is 9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid.

Molecular Properties

• Compound Name: 9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid
• PubChem CID: 157206046
• Molecular Formula: C142H124F8N10O28P5S+
• Molecular Weight: 2757.52 g/mol
• Exact Mass: 2755.69
• IUPAC Name: 9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid
• SMILES: CCOP(=O)(OCC)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.CCOP(=O)(OCC)c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.CCO[P+](=O)OCC.O=C1c2c(c(OS(=O)(=O)C(F)(F)F)c3cccnc3c2OC(c2ccccc2)c2ccccc2)CN1Cc1ccc(F)cc1.O=C1c2c(c(P(=O)(O)O)c3cccnc3c2O)CN1Cc1ccc(F)cc1.O=C1c2c(c(P(=O)(O)O)c3cccnc3c2OC(c2ccccc2)c2ccccc2)CN1Cc1ccc(F)cc1
• InChI: InChI=1S/C35H32FN2O5P.C32H22F4N2O5S.C31H24FN2O5P.C22H22FN2O5P.C18H14FN2O5P.C4H10O3P/c1-3-41-44(40,42-4-2)34-28-16-11-21-37-31(28)33(43-32(25-12-7-5-8-13-25)26-14-9-6-10-15-26)30-29(34)23-38(35(30)39)22-24-17-19-27(36)20-18-24;33-23-15-13-20(14-16-23)18-38-19-25-26(31(38)39)30(42-28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)27-24(12-7-17-37-27)29(25)43-44(40,41)32(34,35)36;32-23-15-13-20(14-16-23)18-34-19-25-26(31(34)35)29(27-24(12-7-17-33-27)30(25)40(36,37)38)39-28(21-8-3-1-4-9-21)22-10-5-2-6-11-22;1-3-29-31(28,30-4-2)21-16-6-5-11-24-19(16)20(26)18-17(21)13-25(22(18)27)12-14-7-9-15(23)10-8-14;19-11-5-3-10(4-6-11)8-21-9-13-14(18(21)23)16(22)15-12(2-1-7-20-15)17(13)27(24,25)26;1-3-6-8(5)7-4-2/h5-21,32H,3-4,22-23H2,1-2H3;1-17,28H,18-19H2;1-17,28H,18-19H2,(H2,36,37,38);5-11,26H,3-4,12-13H2,1-2H3;1-7,22H,8-9H2,(H2,24,25,26);3-4H2,1-2H3/q;;;;;+1
• InChIKey: PEKMCAJAZGIGHS-UHFFFAOYSA-N
• XLogP: 27.90
• TPSA: 499.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 40
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2757.52
LogP ≤ 5	27.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid?

The IUPAC name of 9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid (CID 157206046) is 9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid.

What is the SMILES notation for 9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid?

The canonical SMILES for 9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid is CCOP(=O)(OCC)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.CCOP(=O)(OCC)c1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2.CCO[P+](=O)OCC.O=C1c2c(c(OS(=O)(=O)C(F)(F)F)c3cccnc3c2OC(c2ccccc2)c2ccccc2)CN1Cc1ccc(F)cc1.O=C1c2c(c(P(=O)(O)O)c3cccnc3c2O)CN1Cc1ccc(F)cc1.O=C1c2c(c(P(=O)(O)O)c3cccnc3c2OC(c2ccccc2)c2ccccc2)CN1Cc1ccc(F)cc1.

What is the InChIKey of 9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid?

The InChIKey is PEKMCAJAZGIGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32FN2O5P.C32H22F4N2O5S.C31H24FN2O5P.C22H22FN2O5P.C18H14FN2O5P.C4H10O3P/c1-3-41-44(40,42-4-2)34-28-16-11-21-37-31(28)33(43-32(25-12-7-5-8-13-25)26-14-9-6-10-15-26)30-29(34)23-38(35(30)39)22-24-17-19-27(36)20-18-24;33-23-15-13-20(14-16-23)18-38-19-25-26(31(38)39)30(42-28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)27-24(12-7-17-37-27)29(25)43-44(40,41)32(34,35)36;32-23-15-13-20(14-16-23)18-34-19-25-26(31(34)35)29(27-24(12-7-17-33-27)30(25)40(36,37)38)39-28(21-8-3-1-4-9-21)22-10-5-2-6-11-22;1-3-29-31(28,30-4-2)21-16-6-5-11-24-19(16)20(26)18-17(21)13-25(22(18)27)12-14-7-9-15(23)10-8-14;19-11-5-3-10(4-6-11)8-21-9-13-14(18(21)23)16(22)15-12(2-1-7-20-15)17(13)27(24,25)26;1-3-6-8(5)7-4-2/h5-21,32H,3-4,22-23H2,1-2H3;1-17,28H,18-19H2;1-17,28H,18-19H2,(H2,36,37,38);5-11,26H,3-4,12-13H2,1-2H3;1-7,22H,8-9H2,(H2,24,25,26);3-4H2,1-2H3/q;;;;;+1.

What are the key properties of 9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid?

9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid has a molecular weight of 2757.52 g/mol, XLogP of 27.90, 40 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 9-benzhydryloxy-5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid;[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl] trifluoromethanesulfonate;diethoxy(oxo)phosphanium;5-diethoxyphosphoryl-7-[(4-fluorophenyl)methyl]-9-hydroxy-6H-pyrrolo[3,4-g]quinolin-8-one;[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]phosphonic acid is sourced from PubChem (CID 157206046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).