1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione

C216H207N15O25 — CID 159308288

About 1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione

1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione (PubChem CID 159308288) has the molecular formula C216H207N15O25 and a molecular weight of 3413.11 g/mol. Its IUPAC name is 1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione.

Molecular Properties

• Compound Name: 1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione
• PubChem CID: 159308288
• Molecular Formula: C216H207N15O25
• Molecular Weight: 3413.11 g/mol
• Exact Mass: 3410.54
• IUPAC Name: 1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione
• SMILES: C=CCN(CC=C)C(=O)CCC(=O)Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1.C=CCN(CC=C)C(=O)CCC(=O)Oc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1.Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(CC(=O)CCC(=O)O)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1.Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(N)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1.Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(O)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1.Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(OC(=O)CCC(=O)O)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1
• InChI: InChI=1S/C42H43N3O4.C41H41N3O5.C36H34N2O5.C35H32N2O6.C31H29N3O2.C31H28N2O3/c1-8-18-45(19-9-2)36(47)17-14-31(46)24-30-22-28(6)40(29(7)23-30)44-35-16-15-34(43-39-26(4)20-25(3)21-27(39)5)37-38(35)42(49)33-13-11-10-12-32(33)41(37)48;1-8-18-44(19-9-2)34(45)16-17-35(46)49-29-22-27(6)39(28(7)23-29)43-33-15-14-32(42-38-25(4)20-24(3)21-26(38)5)36-37(33)41(48)31-13-11-10-12-30(31)40(36)47;1-19-14-20(2)33(21(3)15-19)37-28-11-12-29(32-31(28)35(42)26-8-6-7-9-27(26)36(32)43)38-34-22(4)16-24(17-23(34)5)18-25(39)10-13-30(40)41;1-18-14-19(2)32(20(3)15-18)36-26-10-11-27(31-30(26)34(41)24-8-6-7-9-25(24)35(31)42)37-33-21(4)16-23(17-22(33)5)43-29(40)13-12-28(38)39;1-16-12-17(2)28(18(3)13-16)33-24-10-11-25(34-29-19(4)14-21(32)15-20(29)5)27-26(24)30(35)22-8-6-7-9-23(22)31(27)36;1-16-12-17(2)28(18(3)13-16)32-24-10-11-25(33-29-19(4)14-21(34)15-20(29)5)27-26(24)30(35)22-8-6-7-9-23(22)31(27)36/h8-13,15-16,20-23,43-44H,1-2,14,17-19,24H2,3-7H3;8-15,20-23,42-43H,1-2,16-19H2,3-7H3;6-9,11-12,14-17,37-38H,10,13,18H2,1-5H3,(H,40,41);6-11,14-17,36-37H,12-13H2,1-5H3,(H,38,39);6-15,33-34H,32H2,1-5H3;6-15,32-34H,1-5H3
• InChIKey: LCEWHUONTFQCHM-UHFFFAOYSA-N
• XLogP: 45.96
• TPSA: 597.41 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 36
• Rotatable Bonds: 50
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3413.11
LogP ≤ 5	45.96
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione?

The IUPAC name of 1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione (CID 159308288) is 1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione.

What is the SMILES notation for 1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione?

The canonical SMILES for 1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione is C=CCN(CC=C)C(=O)CCC(=O)Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1.C=CCN(CC=C)C(=O)CCC(=O)Oc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1.Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(CC(=O)CCC(=O)O)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1.Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(N)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1.Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(O)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1.Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(OC(=O)CCC(=O)O)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1.

What is the InChIKey of 1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione?

The InChIKey is LCEWHUONTFQCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43N3O4.C41H41N3O5.C36H34N2O5.C35H32N2O6.C31H29N3O2.C31H28N2O3/c1-8-18-45(19-9-2)36(47)17-14-31(46)24-30-22-28(6)40(29(7)23-30)44-35-16-15-34(43-39-26(4)20-25(3)21-27(39)5)37-38(35)42(49)33-13-11-10-12-32(33)41(37)48;1-8-18-44(19-9-2)34(45)16-17-35(46)49-29-22-27(6)39(28(7)23-29)43-33-15-14-32(42-38-25(4)20-24(3)21-26(38)5)36-37(33)41(48)31-13-11-10-12-30(31)40(36)47;1-19-14-20(2)33(21(3)15-19)37-28-11-12-29(32-31(28)35(42)26-8-6-7-9-27(26)36(32)43)38-34-22(4)16-24(17-23(34)5)18-25(39)10-13-30(40)41;1-18-14-19(2)32(20(3)15-18)36-26-10-11-27(31-30(26)34(41)24-8-6-7-9-25(24)35(31)42)37-33-21(4)16-23(17-22(33)5)43-29(40)13-12-28(38)39;1-16-12-17(2)28(18(3)13-16)33-24-10-11-25(34-29-19(4)14-21(32)15-20(29)5)27-26(24)30(35)22-8-6-7-9-23(22)31(27)36;1-16-12-17(2)28(18(3)13-16)32-24-10-11-25(33-29-19(4)14-21(34)15-20(29)5)27-26(24)30(35)22-8-6-7-9-23(22)31(27)36/h8-13,15-16,20-23,43-44H,1-2,14,17-19,24H2,3-7H3;8-15,20-23,42-43H,1-2,16-19H2,3-7H3;6-9,11-12,14-17,37-38H,10,13,18H2,1-5H3,(H,40,41);6-11,14-17,36-37H,12-13H2,1-5H3,(H,38,39);6-15,33-34H,32H2,1-5H3;6-15,32-34H,1-5H3.

What are the key properties of 1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione?

1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione has a molecular weight of 3413.11 g/mol, XLogP of 45.96, 50 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-amino-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione;4-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenoxy]-4-oxobutanoic acid;[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl] 4-[bis(prop-2-enyl)amino]-4-oxobutanoate;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxo-N,N-bis(prop-2-enyl)pentanamide;5-[4-[[9,10-dioxo-4-(2,4,6-trimethylanilino)anthracen-1-yl]amino]-3,5-dimethylphenyl]-4-oxopentanoic acid;1-(4-hydroxy-2,6-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione is sourced from PubChem (CID 159308288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).