10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate

C235H270N2O73 — CID 161261723

About 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate

10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate (PubChem CID 161261723) has the molecular formula C235H270N2O73 and a molecular weight of 4290.69 g/mol. Its IUPAC name is 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate.

Molecular Properties

• Compound Name: 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate
• PubChem CID: 161261723
• Molecular Formula: C235H270N2O73
• Molecular Weight: 4290.69 g/mol
• Exact Mass: 4287.75
• IUPAC Name: 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate
• SMILES: CC(=O)OCc1c(COC(C)=O)c(COC(C)=O)c2c(COC(C)=O)c3c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c(O)c3c(O)c2c1O.CCc1c(CC)c(CC)c2c(C#N)c3c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c3c(C#N)c2c1CC.CCc1c(CC)c(CC)c2c(CC)c(Oc3cc(COC(C)=O)c4c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c4c3COC(C)=O)cc(CC)c2c1CC.CCc1c2c(CO)cc(CO)c(O)c2c(O)c2c(O)c(CO)cc(CO)c12.CCc1c2c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c2c(CC)c2c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c12.COCc1cc(CCO)c2c(COC)c3c(COC)cc(COC)c(O)c3c(O)c2c1O.COCc1ccc2c3ccc(CCO)c4c(CCO)ccc(c5ccc(COC)c1c25)c43
• InChI: InChI=1S/C50H62O13.C42H50O16.C36H40N2O8.C35H38O17.C28H28O4.C24H30O8.C20H22O7/c1-13-33-19-45(39(18-6)49-38(17-5)36(15-3)35(14-2)37(16-4)47(33)49)63-46-20-34(21-57-27(7)51)48-42(24-60-30(10)54)40(22-58-28(8)52)41(23-59-29(9)53)43(25-61-31(11)55)50(48)44(46)26-62-32(12)56;1-11-29-39-35(17-55-25(7)47)31(13-51-21(3)43)33(15-53-23(5)45)37(19-57-27(9)49)41(39)30(12-2)42-38(20-58-28(10)50)34(16-54-24(6)46)32(14-52-22(4)44)36(40(29)42)18-56-26(8)48;1-9-23-24(10-2)26(12-4)34-28(14-38)36-32(18-46-22(8)42)30(16-44-20(6)40)29(15-43-19(5)39)31(17-45-21(7)41)35(36)27(13-37)33(34)25(23)11-3;1-15(36)46-8-22-24(10-48-17(3)38)29-28(14-52-21(7)42)30-25(11-49-18(4)39)23(9-47-16(2)37)27(13-51-20(6)41)34(44)32(30)35(45)31(29)33(43)26(22)12-50-19(5)40;1-31-15-19-5-9-23-21-7-3-17(11-13-29)25-18(12-14-30)4-8-22(27(21)25)24-10-6-20(16-32-2)26(19)28(23)24;1-29-9-14-8-16(11-31-3)23(27)21-19(14)17(12-32-4)18-13(5-6-25)7-15(10-30-2)22(26)20(18)24(21)28;1-2-13-14-9(5-21)3-11(7-23)18(25)16(14)20(27)17-15(13)10(6-22)4-12(8-24)19(17)26/h19-20H,13-18,21-26H2,1-12H3;11-20H2,1-10H3;9-12,15-18H2,1-8H3;43-45H,8-14H2,1-7H3;3-10,29-30H,11-16H2,1-2H3;7-8,25-28H,5-6,9-12H2,1-4H3;3-4,21-27H,2,5-8H2,1H3
• InChIKey: VCQHVIASZTYPNK-UHFFFAOYSA-N
• XLogP: 34.92
• TPSA: 1093.37 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 75
• Rotatable Bonds: 87
• Heavy Atoms: 310
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4290.69
LogP ≤ 5	34.92
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	75

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate?

The IUPAC name of 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate (CID 161261723) is 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate.

What is the SMILES notation for 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate?

The canonical SMILES for 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate is CC(=O)OCc1c(COC(C)=O)c(COC(C)=O)c2c(COC(C)=O)c3c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c(O)c3c(O)c2c1O.CCc1c(CC)c(CC)c2c(C#N)c3c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c3c(C#N)c2c1CC.CCc1c(CC)c(CC)c2c(CC)c(Oc3cc(COC(C)=O)c4c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c4c3COC(C)=O)cc(CC)c2c1CC.CCc1c2c(CO)cc(CO)c(O)c2c(O)c2c(O)c(CO)cc(CO)c12.CCc1c2c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c2c(CC)c2c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c12.COCc1cc(CCO)c2c(COC)c3c(COC)cc(COC)c(O)c3c(O)c2c1O.COCc1ccc2c3ccc(CCO)c4c(CCO)ccc(c5ccc(COC)c1c25)c43.

What is the InChIKey of 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate?

The InChIKey is VCQHVIASZTYPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H62O13.C42H50O16.C36H40N2O8.C35H38O17.C28H28O4.C24H30O8.C20H22O7/c1-13-33-19-45(39(18-6)49-38(17-5)36(15-3)35(14-2)37(16-4)47(33)49)63-46-20-34(21-57-27(7)51)48-42(24-60-30(10)54)40(22-58-28(8)52)41(23-59-29(9)53)43(25-61-31(11)55)50(48)44(46)26-62-32(12)56;1-11-29-39-35(17-55-25(7)47)31(13-51-21(3)43)33(15-53-23(5)45)37(19-57-27(9)49)41(39)30(12-2)42-38(20-58-28(10)50)34(16-54-24(6)46)32(14-52-22(4)44)36(40(29)42)18-56-26(8)48;1-9-23-24(10-2)26(12-4)34-28(14-38)36-32(18-46-22(8)42)30(16-44-20(6)40)29(15-43-19(5)39)31(17-45-21(7)41)35(36)27(13-37)33(34)25(23)11-3;1-15(36)46-8-22-24(10-48-17(3)38)29-28(14-52-21(7)42)30-25(11-49-18(4)39)23(9-47-16(2)37)27(13-51-20(6)41)34(44)32(30)35(45)31(29)33(43)26(22)12-50-19(5)40;1-31-15-19-5-9-23-21-7-3-17(11-13-29)25-18(12-14-30)4-8-22(27(21)25)24-10-6-20(16-32-2)26(19)28(23)24;1-29-9-14-8-16(11-31-3)23(27)21-19(14)17(12-32-4)18-13(5-6-25)7-15(10-30-2)22(26)20(18)24(21)28;1-2-13-14-9(5-21)3-11(7-23)18(25)16(14)20(27)17-15(13)10(6-22)4-12(8-24)19(17)26/h19-20H,13-18,21-26H2,1-12H3;11-20H2,1-10H3;9-12,15-18H2,1-8H3;43-45H,8-14H2,1-7H3;3-10,29-30H,11-16H2,1-2H3;7-8,25-28H,5-6,9-12H2,1-4H3;3-4,21-27H,2,5-8H2,1H3.

What are the key properties of 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate?

10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate has a molecular weight of 4290.69 g/mol, XLogP of 34.92, 87 rotatable bonds, 16 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;[1,3,4,5,6,7,8-heptakis(acetyloxymethyl)-9,10-diethylanthracen-2-yl]methyl acetate;[1,3,6,7,8,9-hexakis(acetyloxymethyl)-4,5,10-trihydroxyanthracen-2-yl]methyl acetate;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;4-(2-hydroxyethyl)-2,5,7,10-tetrakis(methoxymethyl)anthracene-1,8,9-triol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;[1,3,4-tris(acetyloxymethyl)-9,10-dicyano-5,6,7,8-tetraethylanthracen-2-yl]methyl acetate is sourced from PubChem (CID 161261723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).