10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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

C156H172N2O34 — CID 159357100

IUPAC10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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
SMILESCCc1c(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.COCc1ccc2c3ccc(CCO)c4c(CCO)ccc(c5ccc(COC)c1c25)c43.OCC1=CC2C=CC=CC2C=C1c1cc2ccccc2cc1CO
InChIInChI=1S/C50H62O13.C36H40N2O8.C28H28O4.C22H20O2.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;1-9-23-24(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;1-31-15-19-5-9-23-21-7-3-17(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;23-13-19-9-15-5-1-3-7-17(15)11-21(19)22-12-18-8-4-2-6-16(18)10-20(22)14-24;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;9-12,15-18H2,1-8H3;3-10,29-30H,11-16H2,1-2H3;1-12,15,17,23-24H,13-14H2;3-4,21-27H,2,5-8H2,1H3
InChIKeyLIBHONYXAVZKJX-UHFFFAOYSA-N
MW2619.07 g/mol
LogP26.52
Rot. Bonds48

About 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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 159357100) has the molecular formula C156H172N2O34 and a molecular weight of 2619.07 g/mol. Its IUPAC name is 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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 Name10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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 CID159357100
Molecular FormulaC156H172N2O34
Molecular Weight2619.07 g/mol
Exact Mass2617.18
IUPAC Name10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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
SMILESCCc1c(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.COCc1ccc2c3ccc(CCO)c4c(CCO)ccc(c5ccc(COC)c1c25)c43.OCC1=CC2C=CC=CC2C=C1c1cc2ccccc2cc1CO
InChIInChI=1S/C50H62O13.C36H40N2O8.C28H28O4.C22H20O2.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;1-9-23-24(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;1-31-15-19-5-9-23-21-7-3-17(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;23-13-19-9-15-5-1-3-7-17(15)11-21(19)22-12-18-8-4-2-6-16(18)10-20(22)14-24;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;9-12,15-18H2,1-8H3;3-10,29-30H,11-16H2,1-2H3;1-12,15,17,23-24H,13-14H2;3-4,21-27H,2,5-8H2,1H3
InChIKeyLIBHONYXAVZKJX-UHFFFAOYSA-N
XLogP26.52
TPSA560.80 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds48
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002619.07
LogP ≤ 526.52
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene
CID 158613798
2,4-diethyl-5,7,10-tris(methoxymethyl)anthracene-1,8,9-triol
CID 158330008
anthracen-9-ylmethyl acetate
CID 27876
3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile
CID 12949506
[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate
CID 102370759
1,2,3,4-tetraethylpyrene
CID 123156770
methyl 2-[3-cyano-2-ethyl-4-(hydroxymethyl)phenyl]acetate
CID 134613771
methyl 3-cyano-2-ethyl-4-(hydroxymethyl)benzoate
CID 134613772
methyl 4-(1,2-dicyanoperylen-3-yl)butanoate
CID 155195571
(4-hydroxynaphthalen-2-yl)methyl acetate
CID 150198029
ethyl 3-(acetyloxymethyl)pentacene-2-carboxylate
CID 122214946

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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 159357100) is 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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 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.COCc1ccc2c3ccc(CCO)c4c(CCO)ccc(c5ccc(COC)c1c25)c43.OCC1=CC2C=CC=CC2C=C1c1cc2ccccc2cc1CO.
What is the InChIKey of 10-ethyl-2,4,5,7-tetrakis(hydroxymethyl)anthracene-1,8,9-triol;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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 LIBHONYXAVZKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H62O13.C36H40N2O8.C28H28O4.C22H20O2.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;1-9-23-24(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;1-31-15-19-5-9-23-21-7-3-17(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;23-13-19-9-15-5-1-3-7-17(15)11-21(19)22-12-18-8-4-2-6-16(18)10-20(22)14-24;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;9-12,15-18H2,1-8H3;3-10,29-30H,11-16H2,1-2H3;1-12,15,17,23-24H,13-14H2;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;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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 2619.07 g/mol, XLogP of 26.52, 48 rotatable bonds, 11 hydrogen bond donors, and 36 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;2-[4-(2-hydroxyethyl)-9,10-bis(methoxymethyl)perylen-3-yl]ethanol;[3-[3-(hydroxymethyl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]methanol;[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 159357100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).