2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione

C182H221N7O24 — CID 161180921

IUPAC2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione
SMILESCC(=O)OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1.CCCCCCC(CCCCCCCCCCCNC(=O)OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1)C(CCCCCC)CCCCCCCCCCCNC(=O)OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1.O=C1c2ccccc2C(=O)c2c(Nc3ccc(CCO)cc3)ccc(O)c21
InChIInChI=1S/C82H106N4O10.C54H79NO5.C24H19NO5.C22H17NO4/c1-3-5-7-23-33-61(35-25-19-15-11-9-13-17-21-31-55-83-81(93)95-57-53-59-41-45-63(46-42-59)85-69-49-51-71(87)75-73(69)77(89)65-37-27-29-39-67(65)79(75)91)62(34-24-8-6-4-2)36-26-20-16-12-10-14-18-22-32-56-84-82(94)96-58-54-60-43-47-64(48-44-60)86-70-50-52-72(88)76-74(70)78(90)66-38-28-30-40-68(66)80(76)92;1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32-44(31-27-25-23-21-19-16-14-12-10-8-6-4-2)54(59)60-42-41-43-35-37-45(38-36-43)55-48-39-40-49(56)51-50(48)52(57)46-33-29-30-34-47(46)53(51)58;1-14(26)30-13-12-15-6-8-16(9-7-15)25-19-10-11-20(27)22-21(19)23(28)17-4-2-3-5-18(17)24(22)29;24-12-11-13-5-7-14(8-6-13)23-17-9-10-18(25)20-19(17)21(26)15-3-1-2-4-16(15)22(20)27/h27-30,37-52,61-62,85-88H,3-26,31-36,53-58H2,1-2H3,(H,83,93)(H,84,94);29-30,33-40,44,55-56H,3-28,31-32,41-42H2,1-2H3;2-11,25,27H,12-13H2,1H3;1-10,23-25H,11-12H2
InChIKeyUSLCLLLSUBNKDI-UHFFFAOYSA-N
MW2890.79 g/mol
LogP43.39
Rot. Bonds88

About 2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione

2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione (PubChem CID 161180921) has the molecular formula C182H221N7O24 and a molecular weight of 2890.79 g/mol. Its IUPAC name is 2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione.

Molecular Properties

Compound Name2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione
PubChem CID161180921
Molecular FormulaC182H221N7O24
Molecular Weight2890.79 g/mol
Exact Mass2888.63
IUPAC Name2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione
SMILESCC(=O)OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1.CCCCCCC(CCCCCCCCCCCNC(=O)OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1)C(CCCCCC)CCCCCCCCCCCNC(=O)OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1.O=C1c2ccccc2C(=O)c2c(Nc3ccc(CCO)cc3)ccc(O)c21
InChIInChI=1S/C82H106N4O10.C54H79NO5.C24H19NO5.C22H17NO4/c1-3-5-7-23-33-61(35-25-19-15-11-9-13-17-21-31-55-83-81(93)95-57-53-59-41-45-63(46-42-59)85-69-49-51-71(87)75-73(69)77(89)65-37-27-29-39-67(65)79(75)91)62(34-24-8-6-4-2)36-26-20-16-12-10-14-18-22-32-56-84-82(94)96-58-54-60-43-47-64(48-44-60)86-70-50-52-72(88)76-74(70)78(90)66-38-28-30-40-68(66)80(76)92;1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32-44(31-27-25-23-21-19-16-14-12-10-8-6-4-2)54(59)60-42-41-43-35-37-45(38-36-43)55-48-39-40-49(56)51-50(48)52(57)46-33-29-30-34-47(46)53(51)58;1-14(26)30-13-12-15-6-8-16(9-7-15)25-19-10-11-20(27)22-21(19)23(28)17-4-2-3-5-18(17)24(22)29;24-12-11-13-5-7-14(8-6-13)23-17-9-10-18(25)20-19(17)21(26)15-3-1-2-4-16(15)22(20)27/h27-30,37-52,61-62,85-88H,3-26,31-36,53-58H2,1-2H3,(H,83,93)(H,84,94);29-30,33-40,44,55-56H,3-28,31-32,41-42H2,1-2H3;2-11,25,27H,12-13H2,1H3;1-10,23-25H,11-12H2
InChIKeyUSLCLLLSUBNKDI-UHFFFAOYSA-N
XLogP43.39
TPSA481.49 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds88
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002890.79
LogP ≤ 543.39
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione with MolForge

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Related Compounds

2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 89029395
[2,4-dibromo-5-[2-[[24-[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)azaniumyl]phenyl]ethoxycarbonylamino]-12,13-dihexyltetracosyl]carbamoyloxy]ethyl]phenyl]-(4-hydroxy-9,10-dioxoanthracen-1-yl)azanium;[2,4-dibromo-5-[2-[26-[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)azaniumyl]phenyl]ethoxy]-13,14-dihexyl-26-oxohexacosanoyl]oxyethyl]phenyl]-(4-hydroxy-9,10-dioxoanthracen-1-yl)azanium;[2,4-dibromo-5-[2-(2-hexadecylicosanoyloxy)ethyl]phenyl]-(4-hydroxy-9,10-dioxoanthracen-1-yl)azanium;pentabromide
CID 162057433
2-[3,5-dibromo-4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate
CID 23526031
1-amino-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione
CID 142876904
3-phenylpropyl 2-heptylundecanoate
CID 129279131
5-hexyl-2-[[4-(4-hexyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid
CID 59079121
decyl N-(4-phenylbutyl)carbamate
CID 101211373
butyl N-(5-phenylpentyl)carbamate
CID 69404409
4-phenylbutyl 2-heptylundecanoate
CID 129279311
(4-butylphenyl) 1-amino-4-(4-hexylanilino)-9,10-dioxoanthracene-2-carboxylate
CID 90068744
1,4-bis(4-butylanilino)anthracene-9,10-dione;1,4-bis(3-methylanilino)anthracene-9,10-dione
CID 159658247
4-phenylbutyl 2-butyloctanoate
CID 129279338

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione?
The IUPAC name of 2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione (CID 161180921) is 2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione.
What is the SMILES notation for 2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione?
The canonical SMILES for 2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione is CC(=O)OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1.CCCCCCC(CCCCCCCCCCCNC(=O)OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1)C(CCCCCC)CCCCCCCCCCCNC(=O)OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1.O=C1c2ccccc2C(=O)c2c(Nc3ccc(CCO)cc3)ccc(O)c21.
What is the InChIKey of 2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione?
The InChIKey is USLCLLLSUBNKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H106N4O10.C54H79NO5.C24H19NO5.C22H17NO4/c1-3-5-7-23-33-61(35-25-19-15-11-9-13-17-21-31-55-83-81(93)95-57-53-59-41-45-63(46-42-59)85-69-49-51-71(87)75-73(69)77(89)65-37-27-29-39-67(65)79(75)91)62(34-24-8-6-4-2)36-26-20-16-12-10-14-18-22-32-56-84-82(94)96-58-54-60-43-47-64(48-44-60)86-70-50-52-72(88)76-74(70)78(90)66-38-28-30-40-68(66)80(76)92;1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32-44(31-27-25-23-21-19-16-14-12-10-8-6-4-2)54(59)60-42-41-43-35-37-45(38-36-43)55-48-39-40-49(56)51-50(48)52(57)46-33-29-30-34-47(46)53(51)58;1-14(26)30-13-12-15-6-8-16(9-7-15)25-19-10-11-20(27)22-21(19)23(28)17-4-2-3-5-18(17)24(22)29;24-12-11-13-5-7-14(8-6-13)23-17-9-10-18(25)20-19(17)21(26)15-3-1-2-4-16(15)22(20)27/h27-30,37-52,61-62,85-88H,3-26,31-36,53-58H2,1-2H3,(H,83,93)(H,84,94);29-30,33-40,44,55-56H,3-28,31-32,41-42H2,1-2H3;2-11,25,27H,12-13H2,1H3;1-10,23-25H,11-12H2.
What are the key properties of 2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione?
2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione has a molecular weight of 2890.79 g/mol, XLogP of 43.39, 88 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl acetate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[12,13-dihexyl-24-[2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]tetracosyl]carbamate;2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl 2-tetradecyloctadecanoate;1-hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione is sourced from PubChem (CID 161180921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).