2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid

C128H96F24N6O19 — CID 87990298

IUPAC2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid
SMILESCCCCC(C(=O)Oc1cc2c(C(CCC)C(=O)Oc3cc4c(C(CC)C(=O)Oc5cc6c(C(C)C(=O)Oc7cc8c(CC(=O)O)c(C)n(C(=O)c9ccc(C(F)(F)F)cc9)c8cc7F)c(C)n(C(=O)c7ccc(C(F)(F)F)cc7)c6cc5F)c(C)n(C(=O)c5ccc(C(F)(F)F)cc5)c4cc3F)c(C)n(C(=O)c3ccc(C(F)(F)F)cc3)c2cc1F)c1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2cc(F)c(OC(=O)C(c3c(C)n(C(=O)c4ccc(C(F)(F)F)cc4)c4cc(F)c(O)cc34)C(C)CC)cc12
InChIInChI=1S/C128H96F24N6O19/c1-13-17-19-79(110-63(11)157(116(166)69-28-40-75(41-29-69)127(147,148)149)98-56-92(134)104(49-86(98)110)177-122(172)106(57(5)15-3)111-64(12)158(94-51-87(129)99(159)44-82(94)111)117(167)70-30-42-76(43-31-70)128(150,151)152)121(171)176-103-48-85-97(55-91(103)133)156(115(165)68-26-38-74(39-27-68)126(144,145)146)62(10)109(85)78(18-14-2)120(170)175-102-47-84-96(54-90(102)132)155(114(164)67-24-36-73(37-25-67)125(141,142)143)61(9)108(84)77(16-4)119(169)174-101-46-83-95(53-89(101)131)154(113(163)66-22-34-72(35-23-66)124(138,139)140)60(8)107(83)58(6)118(168)173-100-45-81-80(50-105(160)161)59(7)153(93(81)52-88(100)130)112(162)65-20-32-71(33-21-65)123(135,136)137/h20-49,51-58,77-79,106,159H,13-19,50H2,1-12H3,(H,160,161)
InChIKeyBBKUXHHZTAQYAZ-UHFFFAOYSA-N
MW2478.15 g/mol
LogP31.59
Rot. Bonds31

About 2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid

2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid (PubChem CID 87990298) has the molecular formula C128H96F24N6O19 and a molecular weight of 2478.15 g/mol. Its IUPAC name is 2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid
PubChem CID87990298
Molecular FormulaC128H96F24N6O19
Molecular Weight2478.15 g/mol
Exact Mass2476.63
IUPAC Name2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid
SMILESCCCCC(C(=O)Oc1cc2c(C(CCC)C(=O)Oc3cc4c(C(CC)C(=O)Oc5cc6c(C(C)C(=O)Oc7cc8c(CC(=O)O)c(C)n(C(=O)c9ccc(C(F)(F)F)cc9)c8cc7F)c(C)n(C(=O)c7ccc(C(F)(F)F)cc7)c6cc5F)c(C)n(C(=O)c5ccc(C(F)(F)F)cc5)c4cc3F)c(C)n(C(=O)c3ccc(C(F)(F)F)cc3)c2cc1F)c1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2cc(F)c(OC(=O)C(c3c(C)n(C(=O)c4ccc(C(F)(F)F)cc4)c4cc(F)c(O)cc34)C(C)CC)cc12
InChIInChI=1S/C128H96F24N6O19/c1-13-17-19-79(110-63(11)157(116(166)69-28-40-75(41-29-69)127(147,148)149)98-56-92(134)104(49-86(98)110)177-122(172)106(57(5)15-3)111-64(12)158(94-51-87(129)99(159)44-82(94)111)117(167)70-30-42-76(43-31-70)128(150,151)152)121(171)176-103-48-85-97(55-91(103)133)156(115(165)68-26-38-74(39-27-68)126(144,145)146)62(10)109(85)78(18-14-2)120(170)175-102-47-84-96(54-90(102)132)155(114(164)67-24-36-73(37-25-67)125(141,142)143)61(9)108(84)77(16-4)119(169)174-101-46-83-95(53-89(101)131)154(113(163)66-22-34-72(35-23-66)124(138,139)140)60(8)107(83)58(6)118(168)173-100-45-81-80(50-105(160)161)59(7)153(93(81)52-88(100)130)112(162)65-20-32-71(33-21-65)123(135,136)137/h20-49,51-58,77-79,106,159H,13-19,50H2,1-12H3,(H,160,161)
InChIKeyBBKUXHHZTAQYAZ-UHFFFAOYSA-N
XLogP31.59
TPSA321.03 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002478.15
LogP ≤ 531.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid with MolForge

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Related Compounds

CID 11979746
CID 11979746
CID 139120178
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CID 69485187
CID 69485187
CID 69485500
CID 69485500
CID 69485504
CID 69485504
CID 69485620
CID 69485620
CID 69485691
CID 69485691
CID 69487561
CID 69487561
CID 69488166
CID 69488166
CID 69569791
CID 69569791
CID 69569952
CID 69569952
CID 69570007
CID 69570007

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid (CID 87990298) is 2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid is CCCCC(C(=O)Oc1cc2c(C(CCC)C(=O)Oc3cc4c(C(CC)C(=O)Oc5cc6c(C(C)C(=O)Oc7cc8c(CC(=O)O)c(C)n(C(=O)c9ccc(C(F)(F)F)cc9)c8cc7F)c(C)n(C(=O)c7ccc(C(F)(F)F)cc7)c6cc5F)c(C)n(C(=O)c5ccc(C(F)(F)F)cc5)c4cc3F)c(C)n(C(=O)c3ccc(C(F)(F)F)cc3)c2cc1F)c1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2cc(F)c(OC(=O)C(c3c(C)n(C(=O)c4ccc(C(F)(F)F)cc4)c4cc(F)c(O)cc34)C(C)CC)cc12.
What is the InChIKey of 2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid?
The InChIKey is BBKUXHHZTAQYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H96F24N6O19/c1-13-17-19-79(110-63(11)157(116(166)69-28-40-75(41-29-69)127(147,148)149)98-56-92(134)104(49-86(98)110)177-122(172)106(57(5)15-3)111-64(12)158(94-51-87(129)99(159)44-82(94)111)117(167)70-30-42-76(43-31-70)128(150,151)152)121(171)176-103-48-85-97(55-91(103)133)156(115(165)68-26-38-74(39-27-68)126(144,145)146)62(10)109(85)78(18-14-2)120(170)175-102-47-84-96(54-90(102)132)155(114(164)67-24-36-73(37-25-67)125(141,142)143)61(9)108(84)77(16-4)119(169)174-101-46-83-95(53-89(101)131)154(113(163)66-22-34-72(35-23-66)124(138,139)140)60(8)107(83)58(6)118(168)173-100-45-81-80(50-105(160)161)59(7)153(93(81)52-88(100)130)112(162)65-20-32-71(33-21-65)123(135,136)137/h20-49,51-58,77-79,106,159H,13-19,50H2,1-12H3,(H,160,161).
What are the key properties of 2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid?
2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid has a molecular weight of 2478.15 g/mol, XLogP of 31.59, 31 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-3-methylpentanoyl]oxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]hexanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]pentanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]butanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]propanoyloxy]-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid is sourced from PubChem (CID 87990298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).