[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

C222H291Br15N7O25- — CID 162057433

IUPAC[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
SMILESCCCCCCC(CCCCCCCCCCCC(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br)C(CCCCCC)CCCCCCCCCCCC(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br.CCCCCCC(CCCCCCCCCCCNC(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br)C(CCCCCC)CCCCCCCCCCCNC(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br.CCCCCCCCCC[CH-]CCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br.[Br-].[Br-].[Br-].[Br-].[Br-]
InChIInChI=1S/C82H102Br4N4O10.C82H100Br4N2O10.C58H84Br2NO5.5BrH/c1-3-5-7-23-33-55(35-25-19-15-11-9-13-17-21-31-47-87-81(97)99-49-45-57-51-69(65(85)53-63(57)83)89-67-41-43-71(91)75-73(67)77(93)59-37-27-29-39-61(59)79(75)95)56(34-24-8-6-4-2)36-26-20-16-12-10-14-18-22-32-48-88-82(98)100-50-46-58-52-70(66(86)54-64(58)84)90-68-42-44-72(92)76-74(68)78(94)60-38-28-30-40-62(60)80(76)96;1-3-5-7-23-33-55(35-25-19-15-11-9-13-17-21-27-41-73(91)97-49-47-57-51-69(65(85)53-63(57)83)87-67-43-45-71(89)77-75(67)79(93)59-37-29-31-39-61(59)81(77)95)56(34-24-8-6-4-2)36-26-20-16-12-10-14-18-22-28-42-74(92)98-50-48-58-52-70(66(86)54-64(58)84)88-68-44-46-72(90)78-76(68)80(94)60-38-30-32-40-62(60)82(78)96;1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-36-45(35-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)58(65)66-42-41-46-43-52(50(60)44-49(46)59)61-51-39-40-53(62)55-54(51)56(63)47-37-33-34-38-48(47)57(55)64;;;;;/h27-30,37-44,51-56,89-92H,3-26,31-36,45-50H2,1-2H3,(H,87,97)(H,88,98);29-32,37-40,43-46,51-56,87-90H,3-28,33-36,41-42,47-50H2,1-2H3;20,33-34,37-40,43-45,61-62H,3-19,21-32,35-36,41-42H2,1-2H3;5*1H/q;;-1;;;;;
InChIKeyKGKKPKFHDXIDFF-UHFFFAOYSA-N
MW4656.35 g/mol
LogP44.62
Rot. Bonds128

About [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

[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 (PubChem CID 162057433) has the molecular formula C222H291Br15N7O25- and a molecular weight of 4656.35 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID162057433
Molecular FormulaC222H291Br15N7O25-
Molecular Weight4656.35 g/mol
Exact Mass4638.95
IUPAC Name[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
SMILESCCCCCCC(CCCCCCCCCCCC(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br)C(CCCCCC)CCCCCCCCCCCC(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br.CCCCCCC(CCCCCCCCCCCNC(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br)C(CCCCCC)CCCCCCCCCCCNC(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br.CCCCCCCCCC[CH-]CCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br.[Br-].[Br-].[Br-].[Br-].[Br-]
InChIInChI=1S/C82H102Br4N4O10.C82H100Br4N2O10.C58H84Br2NO5.5BrH/c1-3-5-7-23-33-55(35-25-19-15-11-9-13-17-21-31-47-87-81(97)99-49-45-57-51-69(65(85)53-63(57)83)89-67-41-43-71(91)75-73(67)77(93)59-37-27-29-39-61(59)79(75)95)56(34-24-8-6-4-2)36-26-20-16-12-10-14-18-22-32-48-88-82(98)100-50-46-58-52-70(66(86)54-64(58)84)90-68-42-44-72(92)76-74(68)78(94)60-38-28-30-40-62(60)80(76)96;1-3-5-7-23-33-55(35-25-19-15-11-9-13-17-21-27-41-73(91)97-49-47-57-51-69(65(85)53-63(57)83)87-67-43-45-71(89)77-75(67)79(93)59-37-29-31-39-61(59)81(77)95)56(34-24-8-6-4-2)36-26-20-16-12-10-14-18-22-28-42-74(92)98-50-48-58-52-70(66(86)54-64(58)84)88-68-44-46-72(90)78-76(68)80(94)60-38-30-32-40-62(60)82(78)96;1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-36-45(35-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)58(65)66-42-41-46-43-52(50(60)44-49(46)59)61-51-39-40-53(62)55-54(51)56(63)47-37-33-34-38-48(47)57(55)64;;;;;/h27-30,37-44,51-56,89-92H,3-26,31-36,45-50H2,1-2H3,(H,87,97)(H,88,98);29-32,37-40,43-46,51-56,87-90H,3-28,33-36,41-42,47-50H2,1-2H3;20,33-34,37-40,43-45,61-62H,3-19,21-32,35-36,41-42H2,1-2H3;5*1H/q;;-1;;;;;
InChIKeyKGKKPKFHDXIDFF-UHFFFAOYSA-N
XLogP44.62
TPSA510.46 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds128
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004656.35
LogP ≤ 544.62
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

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': 'aniline', 'substructure': 'N/A'}

Analyze [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 with MolForge

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Related Compounds

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
bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate
CID 162177388
dibutyl 2-octyldecanedioate
CID 126512555
4-O-[2-(2-bromophenyl)ethyl] 1-O-decyl butanedioate
CID 91727956
1-O-ethyl 8-O-[6-oxo-6-[4-[6-(propylcarbamoyloxy)hexanoyloxy]butoxy]hexyl] 2-[5-(3,4-dihydroxyphenyl)-2-oxopentyl]octanedioate
CID 165070846
2-[(3-amino-4-benzylheptadecyl)carbamoyloxy]ethyl 2-methylpropanoate
CID 67847440
1-O-benzyl 11-O-butyl 2-octylundecanedioate
CID 90379164
1,4-dihydroxy-2-(octylamino)anthracene-9,10-dione
CID 12678915
butyl 6-(propoxycarbonylamino)hexanoate
CID 91709696
2-[2-[3-[bis(2-hydroxyethyl)amino]propylcarbamoyloxy]ethyl-[2-(2-hexyldecanoyloxy)ethyl]amino]ethyl (Z)-octadec-9-enoate
CID 172677391
diheptyl 2-nonylhexanedioate
CID 175119846
diheptyl 2-octylhexanedioate
CID 138677081

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCCCCCC(CCCCCCCCCCCC(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br)C(CCCCCC)CCCCCCCCCCCC(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br.CCCCCCC(CCCCCCCCCCCNC(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br)C(CCCCCC)CCCCCCCCCCCNC(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br.CCCCCCCCCC[CH-]CCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)OCCc1cc([NH2+]c2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br.[Br-].[Br-].[Br-].[Br-].[Br-].
What is the InChIKey of [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?
The InChIKey is KGKKPKFHDXIDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H102Br4N4O10.C82H100Br4N2O10.C58H84Br2NO5.5BrH/c1-3-5-7-23-33-55(35-25-19-15-11-9-13-17-21-31-47-87-81(97)99-49-45-57-51-69(65(85)53-63(57)83)89-67-41-43-71(91)75-73(67)77(93)59-37-27-29-39-61(59)79(75)95)56(34-24-8-6-4-2)36-26-20-16-12-10-14-18-22-32-48-88-82(98)100-50-46-58-52-70(66(86)54-64(58)84)90-68-42-44-72(92)76-74(68)78(94)60-38-28-30-40-62(60)80(76)96;1-3-5-7-23-33-55(35-25-19-15-11-9-13-17-21-27-41-73(91)97-49-47-57-51-69(65(85)53-63(57)83)87-67-43-45-71(89)77-75(67)79(93)59-37-29-31-39-61(59)81(77)95)56(34-24-8-6-4-2)36-26-20-16-12-10-14-18-22-28-42-74(92)98-50-48-58-52-70(66(86)54-64(58)84)88-68-44-46-72(90)78-76(68)80(94)60-38-30-32-40-62(60)82(78)96;1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-36-45(35-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)58(65)66-42-41-46-43-52(50(60)44-49(46)59)61-51-39-40-53(62)55-54(51)56(63)47-37-33-34-38-48(47)57(55)64;;;;;/h27-30,37-44,51-56,89-92H,3-26,31-36,45-50H2,1-2H3,(H,87,97)(H,88,98);29-32,37-40,43-46,51-56,87-90H,3-28,33-36,41-42,47-50H2,1-2H3;20,33-34,37-40,43-45,61-62H,3-19,21-32,35-36,41-42H2,1-2H3;5*1H/q;;-1;;;;;.
What are the key properties of [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?
[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 has a molecular weight of 4656.35 g/mol, XLogP of 44.62, 128 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 162057433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).