[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate

C248H270O28 — CID 158340912

IUPAC[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate
SMILESCOc1c(C)cc(C(C)(CC(C)C)c2cc(C)c(OC(=O)c3ccc(-c4ccc(C(=O)Oc5c(C)cc(C(C)(CC(C)C)c6cc(C)c(OC(=O)c7cccc(C(C)=O)c7)c(C)c6)cc5C)cc4)cc3)c(C)c2)cc1C.COc1c(C)cc(C(C)(CC(C)C)c2cc(C)c(OC(=O)c3ccc(C=Cc4ccc(C(=O)Oc5c(C)cc(C(C)(CC(C)C)c6cc(C)c(OC(=O)c7ccc(C(C)=O)cc7)c(C)c6)cc5C)cc4)cc3)c(C)c2)cc1C.COc1c(C)cc(C(C)(CC(C)C)c2cc(C)c(OC(=O)c3ccc(C=Cc4ccc(C(=O)Oc5c(C)cc(C(C)(CC(C)C)c6cc(C)c(OC(=O)c7cccc(C(C)=O)c7)c(C)c6)cc5C)cc4)cc3)c(C)c2)cc1C.COc1c(C)cc(C(C)(CC(C)C)c2cc(C)c(OC(=O)c3ccc(C=Cc4ccc(C(C)=O)cc4)cc3)c(C)c2)cc1C
InChIInChI=1S/2C70H76O8.C68H74O8.C40H44O4/c1-41(2)39-69(14,58-31-43(5)62(75-16)44(6)32-58)59-33-45(7)63(46(8)34-59)76-66(72)55-23-19-52(20-24-55)17-18-53-21-25-56(26-22-53)67(73)77-64-47(9)35-60(36-48(64)10)70(15,40-42(3)4)61-37-49(11)65(50(12)38-61)78-68(74)57-29-27-54(28-30-57)51(13)71;1-41(2)39-69(14,58-30-43(5)62(75-16)44(6)31-58)59-32-45(7)63(46(8)33-59)76-66(72)54-26-22-52(23-27-54)20-21-53-24-28-55(29-25-53)67(73)77-64-47(9)34-60(35-48(64)10)70(15,40-42(3)4)61-36-49(11)65(50(12)37-61)78-68(74)57-19-17-18-56(38-57)51(13)71;1-39(2)37-67(14,56-28-41(5)60(73-16)42(6)29-56)57-30-43(7)61(44(8)31-57)74-64(70)52-24-20-50(21-25-52)51-22-26-53(27-23-51)65(71)75-62-45(9)32-58(33-46(62)10)68(15,38-40(3)4)59-34-47(11)63(48(12)35-59)76-66(72)55-19-17-18-54(36-55)49(13)69;1-25(2)24-40(8,35-20-26(3)37(43-9)27(4)21-35)36-22-28(5)38(29(6)23-36)44-39(42)34-18-14-32(15-19-34)11-10-31-12-16-33(17-13-31)30(7)41/h2*17-38,41-42H,39-40H2,1-16H3;17-36,39-40H,37-38H2,1-16H3;10-23,25H,24H2,1-9H3
InChIKeyGRDMGYWPMHCNLF-UHFFFAOYSA-N
MW3698.86 g/mol
LogP60.06
Rot. Bonds63

About [4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate

[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate (PubChem CID 158340912) has the molecular formula C248H270O28 and a molecular weight of 3698.86 g/mol. Its IUPAC name is [4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate.

Molecular Properties

Compound Name[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate
PubChem CID158340912
Molecular FormulaC248H270O28
Molecular Weight3698.86 g/mol
Exact Mass3695.97
IUPAC Name[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate
SMILESCOc1c(C)cc(C(C)(CC(C)C)c2cc(C)c(OC(=O)c3ccc(-c4ccc(C(=O)Oc5c(C)cc(C(C)(CC(C)C)c6cc(C)c(OC(=O)c7cccc(C(C)=O)c7)c(C)c6)cc5C)cc4)cc3)c(C)c2)cc1C.COc1c(C)cc(C(C)(CC(C)C)c2cc(C)c(OC(=O)c3ccc(C=Cc4ccc(C(=O)Oc5c(C)cc(C(C)(CC(C)C)c6cc(C)c(OC(=O)c7ccc(C(C)=O)cc7)c(C)c6)cc5C)cc4)cc3)c(C)c2)cc1C.COc1c(C)cc(C(C)(CC(C)C)c2cc(C)c(OC(=O)c3ccc(C=Cc4ccc(C(=O)Oc5c(C)cc(C(C)(CC(C)C)c6cc(C)c(OC(=O)c7cccc(C(C)=O)c7)c(C)c6)cc5C)cc4)cc3)c(C)c2)cc1C.COc1c(C)cc(C(C)(CC(C)C)c2cc(C)c(OC(=O)c3ccc(C=Cc4ccc(C(C)=O)cc4)cc3)c(C)c2)cc1C
InChIInChI=1S/2C70H76O8.C68H74O8.C40H44O4/c1-41(2)39-69(14,58-31-43(5)62(75-16)44(6)32-58)59-33-45(7)63(46(8)34-59)76-66(72)55-23-19-52(20-24-55)17-18-53-21-25-56(26-22-53)67(73)77-64-47(9)35-60(36-48(64)10)70(15,40-42(3)4)61-37-49(11)65(50(12)38-61)78-68(74)57-29-27-54(28-30-57)51(13)71;1-41(2)39-69(14,58-30-43(5)62(75-16)44(6)31-58)59-32-45(7)63(46(8)33-59)76-66(72)54-26-22-52(23-27-54)20-21-53-24-28-55(29-25-53)67(73)77-64-47(9)34-60(35-48(64)10)70(15,40-42(3)4)61-36-49(11)65(50(12)37-61)78-68(74)57-19-17-18-56(38-57)51(13)71;1-39(2)37-67(14,56-28-41(5)60(73-16)42(6)29-56)57-30-43(7)61(44(8)31-57)74-64(70)52-24-20-50(21-25-52)51-22-26-53(27-23-51)65(71)75-62-45(9)32-58(33-46(62)10)68(15,38-40(3)4)59-34-47(11)63(48(12)35-59)76-66(72)55-19-17-18-54(36-55)49(13)69;1-25(2)24-40(8,35-20-26(3)37(43-9)27(4)21-35)36-22-28(5)38(29(6)23-36)44-39(42)34-18-14-32(15-19-34)11-10-31-12-16-33(17-13-31)30(7)41/h2*17-38,41-42H,39-40H2,1-16H3;17-36,39-40H,37-38H2,1-16H3;10-23,25H,24H2,1-9H3
InChIKeyGRDMGYWPMHCNLF-UHFFFAOYSA-N
XLogP60.06
TPSA368.20 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds63
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003698.86
LogP ≤ 560.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze [4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate?
The IUPAC name of [4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate (CID 158340912) is [4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate.
What is the SMILES notation for [4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate?
The canonical SMILES for [4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate is COc1c(C)cc(C(C)(CC(C)C)c2cc(C)c(OC(=O)c3ccc(-c4ccc(C(=O)Oc5c(C)cc(C(C)(CC(C)C)c6cc(C)c(OC(=O)c7cccc(C(C)=O)c7)c(C)c6)cc5C)cc4)cc3)c(C)c2)cc1C.COc1c(C)cc(C(C)(CC(C)C)c2cc(C)c(OC(=O)c3ccc(C=Cc4ccc(C(=O)Oc5c(C)cc(C(C)(CC(C)C)c6cc(C)c(OC(=O)c7ccc(C(C)=O)cc7)c(C)c6)cc5C)cc4)cc3)c(C)c2)cc1C.COc1c(C)cc(C(C)(CC(C)C)c2cc(C)c(OC(=O)c3ccc(C=Cc4ccc(C(=O)Oc5c(C)cc(C(C)(CC(C)C)c6cc(C)c(OC(=O)c7cccc(C(C)=O)c7)c(C)c6)cc5C)cc4)cc3)c(C)c2)cc1C.COc1c(C)cc(C(C)(CC(C)C)c2cc(C)c(OC(=O)c3ccc(C=Cc4ccc(C(C)=O)cc4)cc3)c(C)c2)cc1C.
What is the InChIKey of [4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate?
The InChIKey is GRDMGYWPMHCNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C70H76O8.C68H74O8.C40H44O4/c1-41(2)39-69(14,58-31-43(5)62(75-16)44(6)32-58)59-33-45(7)63(46(8)34-59)76-66(72)55-23-19-52(20-24-55)17-18-53-21-25-56(26-22-53)67(73)77-64-47(9)35-60(36-48(64)10)70(15,40-42(3)4)61-37-49(11)65(50(12)38-61)78-68(74)57-29-27-54(28-30-57)51(13)71;1-41(2)39-69(14,58-30-43(5)62(75-16)44(6)31-58)59-32-45(7)63(46(8)33-59)76-66(72)54-26-22-52(23-27-54)20-21-53-24-28-55(29-25-53)67(73)77-64-47(9)34-60(35-48(64)10)70(15,40-42(3)4)61-36-49(11)65(50(12)37-61)78-68(74)57-19-17-18-56(38-57)51(13)71;1-39(2)37-67(14,56-28-41(5)60(73-16)42(6)29-56)57-30-43(7)61(44(8)31-57)74-64(70)52-24-20-50(21-25-52)51-22-26-53(27-23-51)65(71)75-62-45(9)32-58(33-46(62)10)68(15,38-40(3)4)59-34-47(11)63(48(12)35-59)76-66(72)55-19-17-18-54(36-55)49(13)69;1-25(2)24-40(8,35-20-26(3)37(43-9)27(4)21-35)36-22-28(5)38(29(6)23-36)44-39(42)34-18-14-32(15-19-34)11-10-31-12-16-33(17-13-31)30(7)41/h2*17-38,41-42H,39-40H2,1-16H3;17-36,39-40H,37-38H2,1-16H3;10-23,25H,24H2,1-9H3.
What are the key properties of [4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate?
[4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate has a molecular weight of 3698.86 g/mol, XLogP of 60.06, 63 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[4-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-[4-[4-[2-[4-[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoyl]oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenyl] 3-acetylbenzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-[4-[4-[2-[4-(4-acetylbenzoyl)oxy-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]carbonylphenyl]ethenyl]benzoate;[4-[2-(4-methoxy-3,5-dimethylphenyl)-4-methylpentan-2-yl]-2,6-dimethylphenyl] 4-[2-(4-acetylphenyl)ethenyl]benzoate is sourced from PubChem (CID 158340912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).