(5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate

C386H304O58S6 — CID 159626192

IUPAC(5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate
SMILESC=CCc1cc(S(=O)(=O)c2ccc(OC(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(C(C)=O)cc6)cc5)cc4)cc3)c(CC=C)c2)ccc1OOc1ccc(C23CC4CC(CC(c5ccc(OOc6ccc(C7(c8ccc(OC)cc8)c8ccccc8-c8ccccc87)cc6)cc5)(C4)C2)C3)cc1.COc1ccc(C2(c3ccc(OOc4ccc(C5(c6ccc(OOc7ccc(C=CC(=O)c8ccc(OC(=O)c9ccc(Oc%10ccc(S(=O)(=O)c%11ccc(Oc%12ccc(C(C)=O)cc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)C6CC7CC(C6)CC5C7)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(OOc4ccc(C56CC7CC(C5)CC(c5ccc(OC(=O)c8ccc(Oc9ccc(S(=O)(=O)c%10ccc(Oc%11ccc(C(C)=O)cc%11)cc%10)cc9)cc8)cc5)(C7)C6)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(OOc4ccc(C56CC7CC(CC(c8ccc(OOc9ccc(C=CC(=O)c%10ccc(OC(=O)c%11ccc(Oc%12ccc(S(=O)(=O)c%13ccc(Oc%14ccc(C(C)=O)cc%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8)(C7)C5)C6)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1cccc2c(OC(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(C(C)=O)cc6)cc5)cc4)cc3)cccc12
InChIInChI=1S/C93H76O14S2.2C90H70O13S.C75H60O10S.C38H28O8S/c1-5-11-66-54-82(49-51-88(66)103-90(95)65-19-31-74(32-20-65)102-76-43-47-81(48-44-76)108(96,97)80-45-41-75(42-46-80)101-73-29-17-64(18-30-73)61(3)94)109(98,99)83-50-52-89(67(55-83)12-6-2)107-106-79-37-23-69(24-38-79)92-58-62-53-63(59-92)57-91(56-62,60-92)68-21-35-77(36-22-68)104-105-78-39-27-71(28-40-78)93(70-25-33-72(100-4)34-26-70)86-15-9-7-13-84(86)85-14-8-10-16-87(85)93;1-59(91)63-14-30-71(31-15-63)97-73-44-48-80(49-45-73)104(94,95)81-50-46-74(47-51-81)98-72-34-18-65(19-35-72)87(93)99-75-32-16-64(17-33-75)86(92)52-13-60-11-28-76(29-12-60)100-101-77-38-20-66(21-39-77)88-54-61-53-62(55-88)57-89(56-61,58-88)67-22-40-78(41-23-67)102-103-79-42-26-69(27-43-79)90(68-24-36-70(96-2)37-25-68)84-9-5-3-7-82(84)83-8-4-6-10-85(83)90;1-58(91)62-14-30-72(31-15-62)97-74-44-48-81(49-45-74)104(94,95)82-50-46-75(47-51-82)98-73-34-18-64(19-35-73)88(93)99-76-32-16-63(17-33-76)87(92)52-13-59-11-28-77(29-12-59)100-101-78-38-22-65(23-39-78)89(69-54-60-53-61(56-69)57-70(89)55-60)66-24-40-79(41-25-66)102-103-80-42-26-68(27-43-80)90(67-20-36-71(96-2)37-21-67)85-9-5-3-7-83(85)84-8-4-6-10-86(84)90;1-49(76)52-11-23-59(24-12-52)81-61-35-39-66(40-36-61)86(78,79)67-41-37-62(38-42-67)82-60-25-13-53(14-26-60)72(77)83-63-29-15-54(16-30-63)73-44-50-43-51(45-73)47-74(46-50,48-73)55-17-31-64(32-18-55)84-85-65-33-21-57(22-34-65)75(56-19-27-58(80-2)28-20-56)70-9-5-3-7-68(70)69-8-4-6-10-71(69)75;1-25(39)26-9-13-28(14-10-26)44-30-17-21-32(22-18-30)47(41,42)33-23-19-31(20-24-33)45-29-15-11-27(12-16-29)38(40)46-37-8-4-5-34-35(37)6-3-7-36(34)43-2/h5-10,13-52,54-55,62-63H,1-2,11-12,53,56-60H2,3-4H3;3-52,61-62H,53-58H2,1-2H3;3-52,60-61,69-70H,53-57H2,1-2H3;3-42,50-51H,43-48H2,1-2H3;3-24H,1-2H3
InChIKeyMONFUDXGCCMHLG-UHFFFAOYSA-N
MW6063.02 g/mol
LogP87.08
Rot. Bonds99

About (5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate

(5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate (PubChem CID 159626192) has the molecular formula C386H304O58S6 and a molecular weight of 6063.02 g/mol. Its IUPAC name is (5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate.

Molecular Properties

Compound Name(5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate
PubChem CID159626192
Molecular FormulaC386H304O58S6
Molecular Weight6063.02 g/mol
Exact Mass6057.92
IUPAC Name(5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate
SMILESC=CCc1cc(S(=O)(=O)c2ccc(OC(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(C(C)=O)cc6)cc5)cc4)cc3)c(CC=C)c2)ccc1OOc1ccc(C23CC4CC(CC(c5ccc(OOc6ccc(C7(c8ccc(OC)cc8)c8ccccc8-c8ccccc87)cc6)cc5)(C4)C2)C3)cc1.COc1ccc(C2(c3ccc(OOc4ccc(C5(c6ccc(OOc7ccc(C=CC(=O)c8ccc(OC(=O)c9ccc(Oc%10ccc(S(=O)(=O)c%11ccc(Oc%12ccc(C(C)=O)cc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)C6CC7CC(C6)CC5C7)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(OOc4ccc(C56CC7CC(C5)CC(c5ccc(OC(=O)c8ccc(Oc9ccc(S(=O)(=O)c%10ccc(Oc%11ccc(C(C)=O)cc%11)cc%10)cc9)cc8)cc5)(C7)C6)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(OOc4ccc(C56CC7CC(CC(c8ccc(OOc9ccc(C=CC(=O)c%10ccc(OC(=O)c%11ccc(Oc%12ccc(S(=O)(=O)c%13ccc(Oc%14ccc(C(C)=O)cc%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8)(C7)C5)C6)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1cccc2c(OC(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(C(C)=O)cc6)cc5)cc4)cc3)cccc12
InChIInChI=1S/C93H76O14S2.2C90H70O13S.C75H60O10S.C38H28O8S/c1-5-11-66-54-82(49-51-88(66)103-90(95)65-19-31-74(32-20-65)102-76-43-47-81(48-44-76)108(96,97)80-45-41-75(42-46-80)101-73-29-17-64(18-30-73)61(3)94)109(98,99)83-50-52-89(67(55-83)12-6-2)107-106-79-37-23-69(24-38-79)92-58-62-53-63(59-92)57-91(56-62,60-92)68-21-35-77(36-22-68)104-105-78-39-27-71(28-40-78)93(70-25-33-72(100-4)34-26-70)86-15-9-7-13-84(86)85-14-8-10-16-87(85)93;1-59(91)63-14-30-71(31-15-63)97-73-44-48-80(49-45-73)104(94,95)81-50-46-74(47-51-81)98-72-34-18-65(19-35-72)87(93)99-75-32-16-64(17-33-75)86(92)52-13-60-11-28-76(29-12-60)100-101-77-38-20-66(21-39-77)88-54-61-53-62(55-88)57-89(56-61,58-88)67-22-40-78(41-23-67)102-103-79-42-26-69(27-43-79)90(68-24-36-70(96-2)37-25-68)84-9-5-3-7-82(84)83-8-4-6-10-85(83)90;1-58(91)62-14-30-72(31-15-62)97-74-44-48-81(49-45-74)104(94,95)82-50-46-75(47-51-82)98-73-34-18-64(19-35-73)88(93)99-76-32-16-63(17-33-76)87(92)52-13-59-11-28-77(29-12-59)100-101-78-38-22-65(23-39-78)89(69-54-60-53-61(56-69)57-70(89)55-60)66-24-40-79(41-25-66)102-103-80-42-26-68(27-43-80)90(67-20-36-71(96-2)37-21-67)85-9-5-3-7-83(85)84-8-4-6-10-86(84)90;1-49(76)52-11-23-59(24-12-52)81-61-35-39-66(40-36-61)86(78,79)67-41-37-62(38-42-67)82-60-25-13-53(14-26-60)72(77)83-63-29-15-54(16-30-63)73-44-50-43-51(45-73)47-74(46-50,48-73)55-17-31-64(32-18-55)84-85-65-33-21-57(22-34-65)75(56-19-27-58(80-2)28-20-56)70-9-5-3-7-68(70)69-8-4-6-10-71(69)75;1-25(39)26-9-13-28(14-10-26)44-30-17-21-32(22-18-30)47(41,42)33-23-19-31(20-24-33)45-29-15-11-27(12-16-29)38(40)46-37-8-4-5-34-35(37)6-3-7-36(34)43-2/h5-10,13-52,54-55,62-63H,1-2,11-12,53,56-60H2,3-4H3;3-52,61-62H,53-58H2,1-2H3;3-52,60-61,69-70H,53-57H2,1-2H3;3-42,50-51H,43-48H2,1-2H3;3-24H,1-2H3
InChIKeyMONFUDXGCCMHLG-UHFFFAOYSA-N
XLogP87.08
TPSA723.50 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds99
Heavy Atoms450
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006063.02
LogP ≤ 587.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Analyze (5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate?
The IUPAC name of (5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate (CID 159626192) is (5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate.
What is the SMILES notation for (5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate?
The canonical SMILES for (5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate is C=CCc1cc(S(=O)(=O)c2ccc(OC(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(C(C)=O)cc6)cc5)cc4)cc3)c(CC=C)c2)ccc1OOc1ccc(C23CC4CC(CC(c5ccc(OOc6ccc(C7(c8ccc(OC)cc8)c8ccccc8-c8ccccc87)cc6)cc5)(C4)C2)C3)cc1.COc1ccc(C2(c3ccc(OOc4ccc(C5(c6ccc(OOc7ccc(C=CC(=O)c8ccc(OC(=O)c9ccc(Oc%10ccc(S(=O)(=O)c%11ccc(Oc%12ccc(C(C)=O)cc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)C6CC7CC(C6)CC5C7)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(OOc4ccc(C56CC7CC(C5)CC(c5ccc(OC(=O)c8ccc(Oc9ccc(S(=O)(=O)c%10ccc(Oc%11ccc(C(C)=O)cc%11)cc%10)cc9)cc8)cc5)(C7)C6)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(OOc4ccc(C56CC7CC(CC(c8ccc(OOc9ccc(C=CC(=O)c%10ccc(OC(=O)c%11ccc(Oc%12ccc(S(=O)(=O)c%13ccc(Oc%14ccc(C(C)=O)cc%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8)(C7)C5)C6)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1cccc2c(OC(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccc(Oc6ccc(C(C)=O)cc6)cc5)cc4)cc3)cccc12.
What is the InChIKey of (5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate?
The InChIKey is MONFUDXGCCMHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H76O14S2.2C90H70O13S.C75H60O10S.C38H28O8S/c1-5-11-66-54-82(49-51-88(66)103-90(95)65-19-31-74(32-20-65)102-76-43-47-81(48-44-76)108(96,97)80-45-41-75(42-46-80)101-73-29-17-64(18-30-73)61(3)94)109(98,99)83-50-52-89(67(55-83)12-6-2)107-106-79-37-23-69(24-38-79)92-58-62-53-63(59-92)57-91(56-62,60-92)68-21-35-77(36-22-68)104-105-78-39-27-71(28-40-78)93(70-25-33-72(100-4)34-26-70)86-15-9-7-13-84(86)85-14-8-10-16-87(85)93;1-59(91)63-14-30-71(31-15-63)97-73-44-48-80(49-45-73)104(94,95)81-50-46-74(47-51-81)98-72-34-18-65(19-35-72)87(93)99-75-32-16-64(17-33-75)86(92)52-13-60-11-28-76(29-12-60)100-101-77-38-20-66(21-39-77)88-54-61-53-62(55-88)57-89(56-61,58-88)67-22-40-78(41-23-67)102-103-79-42-26-69(27-43-79)90(68-24-36-70(96-2)37-25-68)84-9-5-3-7-82(84)83-8-4-6-10-85(83)90;1-58(91)62-14-30-72(31-15-62)97-74-44-48-81(49-45-74)104(94,95)82-50-46-75(47-51-82)98-73-34-18-64(19-35-73)88(93)99-76-32-16-63(17-33-76)87(92)52-13-59-11-28-77(29-12-59)100-101-78-38-22-65(23-39-78)89(69-54-60-53-61(56-69)57-70(89)55-60)66-24-40-79(41-25-66)102-103-80-42-26-68(27-43-80)90(67-20-36-71(96-2)37-21-67)85-9-5-3-7-83(85)84-8-4-6-10-86(84)90;1-49(76)52-11-23-59(24-12-52)81-61-35-39-66(40-36-61)86(78,79)67-41-37-62(38-42-67)82-60-25-13-53(14-26-60)72(77)83-63-29-15-54(16-30-63)73-44-50-43-51(45-73)47-74(46-50,48-73)55-17-31-64(32-18-55)84-85-65-33-21-57(22-34-65)75(56-19-27-58(80-2)28-20-56)70-9-5-3-7-68(70)69-8-4-6-10-71(69)75;1-25(39)26-9-13-28(14-10-26)44-30-17-21-32(22-18-30)47(41,42)33-23-19-31(20-24-33)45-29-15-11-27(12-16-29)38(40)46-37-8-4-5-34-35(37)6-3-7-36(34)43-2/h5-10,13-52,54-55,62-63H,1-2,11-12,53,56-60H2,3-4H3;3-52,61-62H,53-58H2,1-2H3;3-52,60-61,69-70H,53-57H2,1-2H3;3-42,50-51H,43-48H2,1-2H3;3-24H,1-2H3.
What are the key properties of (5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate?
(5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate has a molecular weight of 6063.02 g/mol, XLogP of 87.08, 99 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxynaphthalen-1-yl) 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[2-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-2-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[3-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxyphenyl]prop-2-enoyl]phenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate;[4-[4-[4-[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]peroxyphenyl]-1-adamantyl]phenyl]peroxy-3-prop-2-enylphenyl]sulfonyl-2-prop-2-enylphenyl] 4-[4-[4-(4-acetylphenoxy)phenyl]sulfonylphenoxy]benzoate is sourced from PubChem (CID 159626192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).