potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride

C236H278ClKO50 — CID 164979356

IUPACpotassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride
SMILESC=O.C=O.C=O.CCC.CCCCCCc1cc(CCCCCC)cc(C2(C)c3cc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)O)c4)(c4ccc(OC)c(C(=O)O)c4)c4ccccc4-5)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)O)c4)(c4ccc(OCCOCCOCCOC)c(C(=O)O)c4)c4ccccc4-5)cc32)c1.CCCCCCc1cc(CCCCCC)cc(C2(C)c3cc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)OCC)c4)(c4ccc(OCCOCCOCCOC)c(C(=O)OCC)c4)c4ccccc4-5)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)OCC)c4)(c4ccc(OCCOCCOCCOC)c(C(=O)OCC)c4)c4ccccc4-5)cc32)c1.Cl.O.[K+].[OH-]
InChIInChI=1S/C122H144O24.C108H116O21.C3H8.3CH2O.ClH.K.2H2O/c1-10-16-18-20-26-85-72-86(27-21-19-17-11-2)74-97(73-85)120(7)110-75-87(89-36-44-102-98-28-22-24-30-108(98)121(112(102)77-89,93-38-32-91(104(79-93)116(125)141-12-3)83-139-66-64-135-58-56-131-50-48-123)95-40-46-114(106(81-95)118(127)143-14-5)145-70-68-137-62-60-133-54-52-129-8)34-42-100(110)101-43-35-88(76-111(101)120)90-37-45-103-99-29-23-25-31-109(99)122(113(103)78-90,94-39-33-92(105(80-94)117(126)142-13-4)84-140-67-65-136-59-57-132-51-49-124)96-41-47-115(107(82-96)119(128)144-15-6)146-71-69-138-63-61-134-55-53-130-9;1-6-8-10-12-18-71-58-72(19-13-11-9-7-2)60-83(59-71)106(3)96-61-73(75-28-36-88-84-20-14-16-22-94(84)107(98(88)63-75,81-32-38-100(120-5)92(67-81)104(115)116)79-30-24-77(90(65-79)102(111)112)69-127-54-52-124-48-46-121-42-40-109)26-34-86(96)87-35-27-74(62-97(87)106)76-29-37-89-85-21-15-17-23-95(85)108(99(89)64-76,80-31-25-78(91(66-80)103(113)114)70-128-55-53-125-49-47-122-43-41-110)82-33-39-101(93(68-82)105(117)118)129-57-56-126-51-50-123-45-44-119-4;1-3-2;3*1-2;;;;/h22-25,28-47,72-82,123-124H,10-21,26-27,48-71,83-84H2,1-9H3;14-17,20-39,58-68,109-110H,6-13,18-19,40-57,69-70H2,1-5H3,(H,111,112)(H,113,114)(H,115,116)(H,117,118);3H2,1-2H3;3*1H2;1H;;2*1H2/q;;;;;;;+1;;/p-1
InChIKeyIQOVDUOWOXVZOU-UHFFFAOYSA-M
MW3989.32 g/mol
LogP37.79
Rot. Bonds117

About potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride

potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride (PubChem CID 164979356) has the molecular formula C236H278ClKO50 and a molecular weight of 3989.32 g/mol. Its IUPAC name is potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride.

Molecular Properties

Compound Namepotassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride
PubChem CID164979356
Molecular FormulaC236H278ClKO50
Molecular Weight3989.32 g/mol
Exact Mass3985.85
IUPAC Namepotassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride
SMILESC=O.C=O.C=O.CCC.CCCCCCc1cc(CCCCCC)cc(C2(C)c3cc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)O)c4)(c4ccc(OC)c(C(=O)O)c4)c4ccccc4-5)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)O)c4)(c4ccc(OCCOCCOCCOC)c(C(=O)O)c4)c4ccccc4-5)cc32)c1.CCCCCCc1cc(CCCCCC)cc(C2(C)c3cc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)OCC)c4)(c4ccc(OCCOCCOCCOC)c(C(=O)OCC)c4)c4ccccc4-5)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)OCC)c4)(c4ccc(OCCOCCOCCOC)c(C(=O)OCC)c4)c4ccccc4-5)cc32)c1.Cl.O.[K+].[OH-]
InChIInChI=1S/C122H144O24.C108H116O21.C3H8.3CH2O.ClH.K.2H2O/c1-10-16-18-20-26-85-72-86(27-21-19-17-11-2)74-97(73-85)120(7)110-75-87(89-36-44-102-98-28-22-24-30-108(98)121(112(102)77-89,93-38-32-91(104(79-93)116(125)141-12-3)83-139-66-64-135-58-56-131-50-48-123)95-40-46-114(106(81-95)118(127)143-14-5)145-70-68-137-62-60-133-54-52-129-8)34-42-100(110)101-43-35-88(76-111(101)120)90-37-45-103-99-29-23-25-31-109(99)122(113(103)78-90,94-39-33-92(105(80-94)117(126)142-13-4)84-140-67-65-136-59-57-132-51-49-124)96-41-47-115(107(82-96)119(128)144-15-6)146-71-69-138-63-61-134-55-53-130-9;1-6-8-10-12-18-71-58-72(19-13-11-9-7-2)60-83(59-71)106(3)96-61-73(75-28-36-88-84-20-14-16-22-94(84)107(98(88)63-75,81-32-38-100(120-5)92(67-81)104(115)116)79-30-24-77(90(65-79)102(111)112)69-127-54-52-124-48-46-121-42-40-109)26-34-86(96)87-35-27-74(62-97(87)106)76-29-37-89-85-21-15-17-23-95(85)108(99(89)64-76,80-31-25-78(91(66-80)103(113)114)70-128-55-53-125-49-47-122-43-41-110)82-33-39-101(93(68-82)105(117)118)129-57-56-126-51-50-123-45-44-119-4;1-3-2;3*1-2;;;;/h22-25,28-47,72-82,123-124H,10-21,26-27,48-71,83-84H2,1-9H3;14-17,20-39,58-68,109-110H,6-13,18-19,40-57,69-70H2,1-5H3,(H,111,112)(H,113,114)(H,115,116)(H,117,118);3H2,1-2H3;3*1H2;1H;;2*1H2/q;;;;;;;+1;;/p-1
InChIKeyIQOVDUOWOXVZOU-UHFFFAOYSA-M
XLogP37.79
TPSA678.78 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds117
Heavy Atoms288
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003989.32
LogP ≤ 537.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride?
The IUPAC name of potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride (CID 164979356) is potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride.
What is the SMILES notation for potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride?
The canonical SMILES for potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride is C=O.C=O.C=O.CCC.CCCCCCc1cc(CCCCCC)cc(C2(C)c3cc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)O)c4)(c4ccc(OC)c(C(=O)O)c4)c4ccccc4-5)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)O)c4)(c4ccc(OCCOCCOCCOC)c(C(=O)O)c4)c4ccccc4-5)cc32)c1.CCCCCCc1cc(CCCCCC)cc(C2(C)c3cc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)OCC)c4)(c4ccc(OCCOCCOCCOC)c(C(=O)OCC)c4)c4ccccc4-5)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)OCC)c4)(c4ccc(OCCOCCOCCOC)c(C(=O)OCC)c4)c4ccccc4-5)cc32)c1.Cl.O.[K+].[OH-].
What is the InChIKey of potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride?
The InChIKey is IQOVDUOWOXVZOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C122H144O24.C108H116O21.C3H8.3CH2O.ClH.K.2H2O/c1-10-16-18-20-26-85-72-86(27-21-19-17-11-2)74-97(73-85)120(7)110-75-87(89-36-44-102-98-28-22-24-30-108(98)121(112(102)77-89,93-38-32-91(104(79-93)116(125)141-12-3)83-139-66-64-135-58-56-131-50-48-123)95-40-46-114(106(81-95)118(127)143-14-5)145-70-68-137-62-60-133-54-52-129-8)34-42-100(110)101-43-35-88(76-111(101)120)90-37-45-103-99-29-23-25-31-109(99)122(113(103)78-90,94-39-33-92(105(80-94)117(126)142-13-4)84-140-67-65-136-59-57-132-51-49-124)96-41-47-115(107(82-96)119(128)144-15-6)146-71-69-138-63-61-134-55-53-130-9;1-6-8-10-12-18-71-58-72(19-13-11-9-7-2)60-83(59-71)106(3)96-61-73(75-28-36-88-84-20-14-16-22-94(84)107(98(88)63-75,81-32-38-100(120-5)92(67-81)104(115)116)79-30-24-77(90(65-79)102(111)112)69-127-54-52-124-48-46-121-42-40-109)26-34-86(96)87-35-27-74(62-97(87)106)76-29-37-89-85-21-15-17-23-95(85)108(99(89)64-76,80-31-25-78(91(66-80)103(113)114)70-128-55-53-125-49-47-122-43-41-110)82-33-39-101(93(68-82)105(117)118)129-57-56-126-51-50-123-45-44-119-4;1-3-2;3*1-2;;;;/h22-25,28-47,72-82,123-124H,10-21,26-27,48-71,83-84H2,1-9H3;14-17,20-39,58-68,109-110H,6-13,18-19,40-57,69-70H2,1-5H3,(H,111,112)(H,113,114)(H,115,116)(H,117,118);3H2,1-2H3;3*1H2;1H;;2*1H2/q;;;;;;;+1;;/p-1.
What are the key properties of potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride?
potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride has a molecular weight of 3989.32 g/mol, XLogP of 37.79, 117 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride is sourced from PubChem (CID 164979356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).