5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene

C174H174O48 — CID 157497622

IUPAC5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene
SMILESCOC(=O)CCCC(=O)Oc1cc(OC(=O)CCCC(=O)OC)cc(-c2cc(-c3cc(OC(=O)CCCC(=O)OC)cc(OC(=O)CCCC(=O)OC)c3)cc(-c3cc(OC(=O)CCCC(=O)OC)cc(OC(=O)CCCC(=O)OC)c3)c2)c1.COC(=O)CCCC(=O)Oc1ccc(-c2cc(-c3ccc(OC(=O)CCCC(=O)OC)cc3)cc(-c3ccc(OC(=O)CCCC(=O)OC)cc3)c2)cc1.COc1ccc(COc2cc(OCc3ccc(OC)cc3)cc(-c3cc(-c4cc(OCc5ccc(OC)cc5)cc(OCc5ccc(OC)cc5)c4)cc(-c4cc(OCc5ccc(OC)cc5)cc(OCc5ccc(OC)cc5)c4)c3)c2)cc1
InChIInChI=1S/C72H66O12.C60H66O24.C42H42O12/c1-73-61-19-7-49(8-20-61)43-79-67-34-58(35-68(40-67)80-44-50-9-21-62(74-2)22-10-50)55-31-56(59-36-69(81-45-51-11-23-63(75-3)24-12-51)41-70(37-59)82-46-52-13-25-64(76-4)26-14-52)33-57(32-55)60-38-71(83-47-53-15-27-65(77-5)28-16-53)42-72(39-60)84-48-54-17-29-66(78-6)30-18-54;1-73-49(61)13-7-19-55(67)79-43-28-40(29-44(34-43)80-56(68)20-8-14-50(62)74-2)37-25-38(41-30-45(81-57(69)21-9-15-51(63)75-3)35-46(31-41)82-58(70)22-10-16-52(64)76-4)27-39(26-37)42-32-47(83-59(71)23-11-17-53(65)77-5)36-48(33-42)84-60(72)24-12-18-54(66)78-6;1-49-37(43)7-4-10-40(46)52-34-19-13-28(14-20-34)31-25-32(29-15-21-35(22-16-29)53-41(47)11-5-8-38(44)50-2)27-33(26-31)30-17-23-36(24-18-30)54-42(48)12-6-9-39(45)51-3/h7-42H,43-48H2,1-6H3;25-36H,7-24H2,1-6H3;13-27H,4-12H2,1-3H3
InChIKeyBYADMBJWSPKUQQ-UHFFFAOYSA-N
MW3033.26 g/mol
LogP31.83
Rot. Bonds78

About 5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene

5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene (PubChem CID 157497622) has the molecular formula C174H174O48 and a molecular weight of 3033.26 g/mol. Its IUPAC name is 5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene.

Molecular Properties

Compound Name5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene
PubChem CID157497622
Molecular FormulaC174H174O48
Molecular Weight3033.26 g/mol
Exact Mass3031.12
IUPAC Name5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene
SMILESCOC(=O)CCCC(=O)Oc1cc(OC(=O)CCCC(=O)OC)cc(-c2cc(-c3cc(OC(=O)CCCC(=O)OC)cc(OC(=O)CCCC(=O)OC)c3)cc(-c3cc(OC(=O)CCCC(=O)OC)cc(OC(=O)CCCC(=O)OC)c3)c2)c1.COC(=O)CCCC(=O)Oc1ccc(-c2cc(-c3ccc(OC(=O)CCCC(=O)OC)cc3)cc(-c3ccc(OC(=O)CCCC(=O)OC)cc3)c2)cc1.COc1ccc(COc2cc(OCc3ccc(OC)cc3)cc(-c3cc(-c4cc(OCc5ccc(OC)cc5)cc(OCc5ccc(OC)cc5)c4)cc(-c4cc(OCc5ccc(OC)cc5)cc(OCc5ccc(OC)cc5)c4)c3)c2)cc1
InChIInChI=1S/C72H66O12.C60H66O24.C42H42O12/c1-73-61-19-7-49(8-20-61)43-79-67-34-58(35-68(40-67)80-44-50-9-21-62(74-2)22-10-50)55-31-56(59-36-69(81-45-51-11-23-63(75-3)24-12-51)41-70(37-59)82-46-52-13-25-64(76-4)26-14-52)33-57(32-55)60-38-71(83-47-53-15-27-65(77-5)28-16-53)42-72(39-60)84-48-54-17-29-66(78-6)30-18-54;1-73-49(61)13-7-19-55(67)79-43-28-40(29-44(34-43)80-56(68)20-8-14-50(62)74-2)37-25-38(41-30-45(81-57(69)21-9-15-51(63)75-3)35-46(31-41)82-58(70)22-10-16-52(64)76-4)27-39(26-37)42-32-47(83-59(71)23-11-17-53(65)77-5)36-48(33-42)84-60(72)24-12-18-54(66)78-6;1-49-37(43)7-4-10-40(46)52-34-19-13-28(14-20-34)31-25-32(29-15-21-35(22-16-29)53-41(47)11-5-8-38(44)50-2)27-33(26-31)30-17-23-36(24-18-30)54-42(48)12-6-9-39(45)51-3/h7-42H,43-48H2,1-6H3;25-36H,7-24H2,1-6H3;13-27H,4-12H2,1-3H3
InChIKeyBYADMBJWSPKUQQ-UHFFFAOYSA-N
XLogP31.83
TPSA584.16 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds78
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003033.26
LogP ≤ 531.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze 5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene with MolForge

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Related Compounds

(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
bis(4-methoxyphenyl) octanedioate
CID 89115465
[4-(4-phenylmethoxyphenyl)phenyl] nonanoate
CID 101126804
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
1,3-bis[[3,5-bis[[3,5-bis(4-methoxyphenyl)phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)benzene
CID 101351708
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
bis(4-methoxyphenyl) propanedioate
CID 12000137
(4-methoxy-4-oxobutyl)-bis[3-(4-methoxyphenyl)propyl]-methylazanium
CID 137445564
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
[4-[3-hydroxy-5-[4-(3-hydroxypropanoyloxy)phenyl]phenyl]phenyl] 3-hydroxypropanoate
CID 86707588
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029
methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate
CID 139088543

Frequently Asked Questions

What is the IUPAC name of 5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene?
The IUPAC name of 5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene (CID 157497622) is 5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene.
What is the SMILES notation for 5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene?
The canonical SMILES for 5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene is COC(=O)CCCC(=O)Oc1cc(OC(=O)CCCC(=O)OC)cc(-c2cc(-c3cc(OC(=O)CCCC(=O)OC)cc(OC(=O)CCCC(=O)OC)c3)cc(-c3cc(OC(=O)CCCC(=O)OC)cc(OC(=O)CCCC(=O)OC)c3)c2)c1.COC(=O)CCCC(=O)Oc1ccc(-c2cc(-c3ccc(OC(=O)CCCC(=O)OC)cc3)cc(-c3ccc(OC(=O)CCCC(=O)OC)cc3)c2)cc1.COc1ccc(COc2cc(OCc3ccc(OC)cc3)cc(-c3cc(-c4cc(OCc5ccc(OC)cc5)cc(OCc5ccc(OC)cc5)c4)cc(-c4cc(OCc5ccc(OC)cc5)cc(OCc5ccc(OC)cc5)c4)c3)c2)cc1.
What is the InChIKey of 5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene?
The InChIKey is BYADMBJWSPKUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H66O12.C60H66O24.C42H42O12/c1-73-61-19-7-49(8-20-61)43-79-67-34-58(35-68(40-67)80-44-50-9-21-62(74-2)22-10-50)55-31-56(59-36-69(81-45-51-11-23-63(75-3)24-12-51)41-70(37-59)82-46-52-13-25-64(76-4)26-14-52)33-57(32-55)60-38-71(83-47-53-15-27-65(77-5)28-16-53)42-72(39-60)84-48-54-17-29-66(78-6)30-18-54;1-73-49(61)13-7-19-55(67)79-43-28-40(29-44(34-43)80-56(68)20-8-14-50(62)74-2)37-25-38(41-30-45(81-57(69)21-9-15-51(63)75-3)35-46(31-41)82-58(70)22-10-16-52(64)76-4)27-39(26-37)42-32-47(83-59(71)23-11-17-53(65)77-5)36-48(33-42)84-60(72)24-12-18-54(66)78-6;1-49-37(43)7-4-10-40(46)52-34-19-13-28(14-20-34)31-25-32(29-15-21-35(22-16-29)53-41(47)11-5-8-38(44)50-2)27-33(26-31)30-17-23-36(24-18-30)54-42(48)12-6-9-39(45)51-3/h7-42H,43-48H2,1-6H3;25-36H,7-24H2,1-6H3;13-27H,4-12H2,1-3H3.
What are the key properties of 5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene?
5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene has a molecular weight of 3033.26 g/mol, XLogP of 31.83, 78 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-[3-[3,5-bis[3,5-bis[(5-methoxy-5-oxopentanoyl)oxy]phenyl]phenyl]-5-(5-methoxy-5-oxopentanoyl)oxyphenyl] 1-O-methyl pentanedioate;5-O-[4-[3,5-bis[4-(5-methoxy-5-oxopentanoyl)oxyphenyl]phenyl]phenyl] 1-O-methyl pentanedioate;1,3,5-tris[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]benzene is sourced from PubChem (CID 157497622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).