[4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate

C366H252O48 — CID 159652969

IUPAC[4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate
SMILESC=CC(=O)OCCCCOc1ccc(C(=O)Oc2c(C)cc(/C=C/C(=O)Oc3ccc4ccccc4c3-c3c(OC(=O)/C=C/c4cc(C)c(OC(=O)c5ccc(OCCCCOC(=O)C=C)cc5)c(C)c4)ccc4ccccc34)cc2C)cc1.C=CC(=O)OCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)Oc3ccc4ccccc4c3-c3c(OC(=O)/C=C/c4ccc(OC(=O)c5ccc(OCCOC(=O)C=C)cc5)cc4)ccc4ccccc34)cc2)cc1.O=C(/C=C/c1ccc(-c2ccccc2)cc1)Oc1ccc(/C=C/C(=O)Oc2ccc3ccccc3c2-c2c(OC(=O)/C=C/c3ccc(OC(=O)/C=C/c4ccc(-c5ccccc5)cc4)cc3)ccc3ccccc23)cc1.O=C(C#Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)Oc1ccc2ccccc2c1-c1c(OC(=O)C#Cc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)ccc2ccccc12.O=C(C#Cc1ccc(-c2ccccc2)cc1)Oc1ccc2ccccc2c1-c1c(OC(=O)C#Cc2ccc(-c3ccccc3)cc2)ccc2ccccc12.O=C(C#Cc1ccc(C#Cc2ccccc2)cc1)Oc1ccc2ccccc2c1-c1c(OC(=O)C#Cc2ccc(C#Cc3ccccc3)cc2)ccc2ccccc12
InChIInChI=1S/C70H62O14.C68H46O8.C62H46O14.C62H38O4.C54H30O4.C50H30O4/c1-7-61(71)79-39-15-13-37-77-55-29-23-53(24-30-55)69(75)83-67-45(3)41-49(42-46(67)4)21-35-63(73)81-59-33-27-51-17-9-11-19-57(51)65(59)66-58-20-12-10-18-52(58)28-34-60(66)82-64(74)36-22-50-43-47(5)68(48(6)44-50)84-70(76)54-25-31-56(32-26-54)78-38-14-16-40-80-62(72)8-2;69-63(43-27-47-19-31-53(32-20-47)51-11-3-1-4-12-51)73-57-37-23-49(24-38-57)29-45-65(71)75-61-41-35-55-15-7-9-17-59(55)67(61)68-60-18-10-8-16-56(60)36-42-62(68)76-66(72)46-30-50-25-39-58(40-26-50)74-64(70)44-28-48-21-33-54(34-22-48)52-13-5-2-6-14-52;1-3-55(63)71-39-37-69-47-29-19-45(20-30-47)61(67)73-49-25-13-41(14-26-49)17-35-57(65)75-53-33-23-43-9-5-7-11-51(43)59(53)60-52-12-8-6-10-44(52)24-34-54(60)76-58(66)36-18-42-15-27-50(28-16-42)74-62(68)46-21-31-48(32-22-46)70-38-40-72-56(64)4-2;63-59(41-23-43-19-25-47(26-20-43)51-33-29-49(30-34-51)45-11-3-1-4-12-45)65-57-39-37-53-15-7-9-17-55(53)61(57)62-56-18-10-8-16-54(56)38-40-58(62)66-60(64)42-24-44-21-27-48(28-22-44)52-35-31-50(32-36-52)46-13-5-2-6-14-46;55-51(37-31-43-27-23-41(24-28-43)21-19-39-11-3-1-4-12-39)57-49-35-33-45-15-7-9-17-47(45)53(49)54-48-18-10-8-16-46(48)34-36-50(54)58-52(56)38-32-44-29-25-42(26-30-44)22-20-40-13-5-2-6-14-40;51-47(33-23-35-19-25-39(26-20-35)37-11-3-1-4-12-37)53-45-31-29-41-15-7-9-17-43(41)49(45)50-44-18-10-8-16-42(44)30-32-46(50)54-48(52)34-24-36-21-27-40(28-22-36)38-13-5-2-6-14-38/h7-12,17-36,41-44H,1-2,13-16,37-40H2,3-6H3;1-46H;3-36H,1-2,37-40H2;1-22,25-40H;1-18,23-30,33-36H;1-22,25-32H/b35-21+,36-22+;43-27+,44-28+,45-29+,46-30+;35-17+,36-18+;;;
InChIKeyMRUQVEAKBGYWJC-QURUOYJUSA-N
MW5417.99 g/mol
LogP76.89
Rot. Bonds76

About [4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate

[4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate (PubChem CID 159652969) has the molecular formula C366H252O48 and a molecular weight of 5417.99 g/mol. Its IUPAC name is [4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate.

Molecular Properties

Compound Name[4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate
PubChem CID159652969
Molecular FormulaC366H252O48
Molecular Weight5417.99 g/mol
Exact Mass5413.73
IUPAC Name[4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate
SMILESC=CC(=O)OCCCCOc1ccc(C(=O)Oc2c(C)cc(/C=C/C(=O)Oc3ccc4ccccc4c3-c3c(OC(=O)/C=C/c4cc(C)c(OC(=O)c5ccc(OCCCCOC(=O)C=C)cc5)c(C)c4)ccc4ccccc34)cc2C)cc1.C=CC(=O)OCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)Oc3ccc4ccccc4c3-c3c(OC(=O)/C=C/c4ccc(OC(=O)c5ccc(OCCOC(=O)C=C)cc5)cc4)ccc4ccccc34)cc2)cc1.O=C(/C=C/c1ccc(-c2ccccc2)cc1)Oc1ccc(/C=C/C(=O)Oc2ccc3ccccc3c2-c2c(OC(=O)/C=C/c3ccc(OC(=O)/C=C/c4ccc(-c5ccccc5)cc4)cc3)ccc3ccccc23)cc1.O=C(C#Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)Oc1ccc2ccccc2c1-c1c(OC(=O)C#Cc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)ccc2ccccc12.O=C(C#Cc1ccc(-c2ccccc2)cc1)Oc1ccc2ccccc2c1-c1c(OC(=O)C#Cc2ccc(-c3ccccc3)cc2)ccc2ccccc12.O=C(C#Cc1ccc(C#Cc2ccccc2)cc1)Oc1ccc2ccccc2c1-c1c(OC(=O)C#Cc2ccc(C#Cc3ccccc3)cc2)ccc2ccccc12
InChIInChI=1S/C70H62O14.C68H46O8.C62H46O14.C62H38O4.C54H30O4.C50H30O4/c1-7-61(71)79-39-15-13-37-77-55-29-23-53(24-30-55)69(75)83-67-45(3)41-49(42-46(67)4)21-35-63(73)81-59-33-27-51-17-9-11-19-57(51)65(59)66-58-20-12-10-18-52(58)28-34-60(66)82-64(74)36-22-50-43-47(5)68(48(6)44-50)84-70(76)54-25-31-56(32-26-54)78-38-14-16-40-80-62(72)8-2;69-63(43-27-47-19-31-53(32-20-47)51-11-3-1-4-12-51)73-57-37-23-49(24-38-57)29-45-65(71)75-61-41-35-55-15-7-9-17-59(55)67(61)68-60-18-10-8-16-56(60)36-42-62(68)76-66(72)46-30-50-25-39-58(40-26-50)74-64(70)44-28-48-21-33-54(34-22-48)52-13-5-2-6-14-52;1-3-55(63)71-39-37-69-47-29-19-45(20-30-47)61(67)73-49-25-13-41(14-26-49)17-35-57(65)75-53-33-23-43-9-5-7-11-51(43)59(53)60-52-12-8-6-10-44(52)24-34-54(60)76-58(66)36-18-42-15-27-50(28-16-42)74-62(68)46-21-31-48(32-22-46)70-38-40-72-56(64)4-2;63-59(41-23-43-19-25-47(26-20-43)51-33-29-49(30-34-51)45-11-3-1-4-12-45)65-57-39-37-53-15-7-9-17-55(53)61(57)62-56-18-10-8-16-54(56)38-40-58(62)66-60(64)42-24-44-21-27-48(28-22-44)52-35-31-50(32-36-52)46-13-5-2-6-14-46;55-51(37-31-43-27-23-41(24-28-43)21-19-39-11-3-1-4-12-39)57-49-35-33-45-15-7-9-17-47(45)53(49)54-48-18-10-8-16-46(48)34-36-50(54)58-52(56)38-32-44-29-25-42(26-30-44)22-20-40-13-5-2-6-14-40;51-47(33-23-35-19-25-39(26-20-35)37-11-3-1-4-12-37)53-45-31-29-41-15-7-9-17-43(41)49(45)50-44-18-10-8-16-42(44)30-32-46(50)54-48(52)34-24-36-21-27-40(28-22-36)38-13-5-2-6-14-38/h7-12,17-36,41-44H,1-2,13-16,37-40H2,3-6H3;1-46H;3-36H,1-2,37-40H2;1-22,25-40H;1-18,23-30,33-36H;1-22,25-32H/b35-21+,36-22+;43-27+,44-28+,45-29+,46-30+;35-17+,36-18+;;;
InChIKeyMRUQVEAKBGYWJC-QURUOYJUSA-N
XLogP76.89
TPSA615.52 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds76
Heavy Atoms414
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005417.99
LogP ≤ 576.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze [4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate?
The IUPAC name of [4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate (CID 159652969) is [4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate.
What is the SMILES notation for [4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate?
The canonical SMILES for [4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate is C=CC(=O)OCCCCOc1ccc(C(=O)Oc2c(C)cc(/C=C/C(=O)Oc3ccc4ccccc4c3-c3c(OC(=O)/C=C/c4cc(C)c(OC(=O)c5ccc(OCCCCOC(=O)C=C)cc5)c(C)c4)ccc4ccccc34)cc2C)cc1.C=CC(=O)OCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)Oc3ccc4ccccc4c3-c3c(OC(=O)/C=C/c4ccc(OC(=O)c5ccc(OCCOC(=O)C=C)cc5)cc4)ccc4ccccc34)cc2)cc1.O=C(/C=C/c1ccc(-c2ccccc2)cc1)Oc1ccc(/C=C/C(=O)Oc2ccc3ccccc3c2-c2c(OC(=O)/C=C/c3ccc(OC(=O)/C=C/c4ccc(-c5ccccc5)cc4)cc3)ccc3ccccc23)cc1.O=C(C#Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)Oc1ccc2ccccc2c1-c1c(OC(=O)C#Cc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)ccc2ccccc12.O=C(C#Cc1ccc(-c2ccccc2)cc1)Oc1ccc2ccccc2c1-c1c(OC(=O)C#Cc2ccc(-c3ccccc3)cc2)ccc2ccccc12.O=C(C#Cc1ccc(C#Cc2ccccc2)cc1)Oc1ccc2ccccc2c1-c1c(OC(=O)C#Cc2ccc(C#Cc3ccccc3)cc2)ccc2ccccc12.
What is the InChIKey of [4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate?
The InChIKey is MRUQVEAKBGYWJC-QURUOYJUSA-N. The full InChI is InChI=1S/C70H62O14.C68H46O8.C62H46O14.C62H38O4.C54H30O4.C50H30O4/c1-7-61(71)79-39-15-13-37-77-55-29-23-53(24-30-55)69(75)83-67-45(3)41-49(42-46(67)4)21-35-63(73)81-59-33-27-51-17-9-11-19-57(51)65(59)66-58-20-12-10-18-52(58)28-34-60(66)82-64(74)36-22-50-43-47(5)68(48(6)44-50)84-70(76)54-25-31-56(32-26-54)78-38-14-16-40-80-62(72)8-2;69-63(43-27-47-19-31-53(32-20-47)51-11-3-1-4-12-51)73-57-37-23-49(24-38-57)29-45-65(71)75-61-41-35-55-15-7-9-17-59(55)67(61)68-60-18-10-8-16-56(60)36-42-62(68)76-66(72)46-30-50-25-39-58(40-26-50)74-64(70)44-28-48-21-33-54(34-22-48)52-13-5-2-6-14-52;1-3-55(63)71-39-37-69-47-29-19-45(20-30-47)61(67)73-49-25-13-41(14-26-49)17-35-57(65)75-53-33-23-43-9-5-7-11-51(43)59(53)60-52-12-8-6-10-44(52)24-34-54(60)76-58(66)36-18-42-15-27-50(28-16-42)74-62(68)46-21-31-48(32-22-46)70-38-40-72-56(64)4-2;63-59(41-23-43-19-25-47(26-20-43)51-33-29-49(30-34-51)45-11-3-1-4-12-45)65-57-39-37-53-15-7-9-17-55(53)61(57)62-56-18-10-8-16-54(56)38-40-58(62)66-60(64)42-24-44-21-27-48(28-22-44)52-35-31-50(32-36-52)46-13-5-2-6-14-46;55-51(37-31-43-27-23-41(24-28-43)21-19-39-11-3-1-4-12-39)57-49-35-33-45-15-7-9-17-47(45)53(49)54-48-18-10-8-16-46(48)34-36-50(54)58-52(56)38-32-44-29-25-42(26-30-44)22-20-40-13-5-2-6-14-40;51-47(33-23-35-19-25-39(26-20-35)37-11-3-1-4-12-37)53-45-31-29-41-15-7-9-17-43(41)49(45)50-44-18-10-8-16-42(44)30-32-46(50)54-48(52)34-24-36-21-27-40(28-22-36)38-13-5-2-6-14-38/h7-12,17-36,41-44H,1-2,13-16,37-40H2,3-6H3;1-46H;3-36H,1-2,37-40H2;1-22,25-40H;1-18,23-30,33-36H;1-22,25-32H/b35-21+,36-22+;43-27+,44-28+,45-29+,46-30+;35-17+,36-18+;;;.
What are the key properties of [4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate?
[4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate has a molecular weight of 5417.99 g/mol, XLogP of 76.89, 76 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-[1-[2-[(E)-3-[3,5-dimethyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]-2,6-dimethylphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] (E)-3-(4-phenylphenyl)prop-2-enoate;[4-[(E)-3-oxo-3-[1-[2-[(E)-3-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxyphenyl]prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxyprop-1-enyl]phenyl] 4-(2-prop-2-enoyloxyethoxy)benzoate;[1-[2-[3-[4-(2-phenylethynyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(2-phenylethynyl)phenyl]prop-2-ynoate;[1-[2-[3-[4-(4-phenylphenyl)phenyl]prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-[4-(4-phenylphenyl)phenyl]prop-2-ynoate;[1-[2-[3-(4-phenylphenyl)prop-2-ynoyloxy]naphthalen-1-yl]naphthalen-2-yl] 3-(4-phenylphenyl)prop-2-ynoate is sourced from PubChem (CID 159652969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).