About bis(carbon dioxide);3-[5-[2-[2-[3-carboxy-5-[4-[4-[4-[4-[3-carboxy-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-2,3,6-triphenylphenyl]phenoxy]phenyl]-2,3,5-triphenylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-5-ethynylbenzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-[4-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenoxy]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one
bis(carbon dioxide);3-[5-[2-[2-[3-carboxy-5-[4-[4-[4-[4-[3-carboxy-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-2,3,6-triphenylphenyl]phenoxy]phenyl]-2,3,5-triphenylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-5-ethynylbenzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-[4-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenoxy]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one (PubChem CID 157118415) has the molecular formula C225H136F6N6O28
and a molecular weight of 3485.56 g/mol. Its IUPAC name is bis(carbon dioxide);3-[5-[2-[2-[3-carboxy-5-[4-[4-[4-[4-[3-carboxy-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-2,3,6-triphenylphenyl]phenoxy]phenyl]-2,3,5-triphenylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-5-ethynylbenzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-[4-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenoxy]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one.
Frequently Asked Questions
What is the IUPAC name of bis(carbon dioxide);3-[5-[2-[2-[3-carboxy-5-[4-[4-[4-[4-[3-carboxy-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-2,3,6-triphenylphenyl]phenoxy]phenyl]-2,3,5-triphenylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-5-ethynylbenzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-[4-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenoxy]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one?
The IUPAC name of bis(carbon dioxide);3-[5-[2-[2-[3-carboxy-5-[4-[4-[4-[4-[3-carboxy-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-2,3,6-triphenylphenyl]phenoxy]phenyl]-2,3,5-triphenylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-5-ethynylbenzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-[4-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenoxy]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one (CID 157118415) is bis(carbon dioxide);3-[5-[2-[2-[3-carboxy-5-[4-[4-[4-[4-[3-carboxy-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-2,3,6-triphenylphenyl]phenoxy]phenyl]-2,3,5-triphenylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-5-ethynylbenzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-[4-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenoxy]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for bis(carbon dioxide);3-[5-[2-[2-[3-carboxy-5-[4-[4-[4-[4-[3-carboxy-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-2,3,6-triphenylphenyl]phenoxy]phenyl]-2,3,5-triphenylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-5-ethynylbenzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-[4-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenoxy]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for bis(carbon dioxide);3-[5-[2-[2-[3-carboxy-5-[4-[4-[4-[4-[3-carboxy-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-2,3,6-triphenylphenyl]phenoxy]phenyl]-2,3,5-triphenylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-5-ethynylbenzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-[4-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenoxy]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one is C#Cc1cccc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(c4cc(C#C)cc(C(=O)O)c4)C5=O)C(F)(F)F)cc3C2=O)c1.C#Cc1cccc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(c4cc(C(=O)O)cc(-c6cc(-c7ccccc7)c(-c7ccc(Oc8ccc(-c9c(-c%10ccccc%10)cc(-c%10cc(C(=O)O)cc(N%11C(=O)c%12ccc(C(C)(C)c%13ccc%14c(c%13)C(=O)N(c%13cc(C#C)cc(C(=O)O)c%13)C%14=O)cc%12C%11=O)c%10)c(-c%10ccccc%10)c9-c9ccccc9)cc8)cc7)c(-c7ccccc7)c6-c6ccccc6)c4)C5=O)C(F)(F)F)cc3C2=O)c1.O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccc(Oc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccccc5)=C4c4ccccc4)cc3)cc2)=C1c1ccccc1.O=C=O.O=C=O.
What is the InChIKey of bis(carbon dioxide);3-[5-[2-[2-[3-carboxy-5-[4-[4-[4-[4-[3-carboxy-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-2,3,6-triphenylphenyl]phenoxy]phenyl]-2,3,5-triphenylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-5-ethynylbenzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-[4-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenoxy]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one?
The InChIKey is AHRDCPWPQXACAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C129H79F3N4O15.C58H38O3.C36H19F3N2O6.2CO2/c1-6-73-27-26-40-92(58-73)133-116(137)100-55-47-90(69-108(100)120(133)141)128(5,129(130,131)132)91-48-56-101-109(70-91)123(144)136(119(101)140)95-63-84(61-87(66-95)126(149)150)105-72-103(76-30-16-9-17-31-76)113(115(80-38-24-13-25-39-80)111(105)78-34-20-11-21-35-78)82-43-51-97(52-44-82)151-96-49-41-81(42-50-96)112-102(75-28-14-8-15-29-75)71-104(110(77-32-18-10-19-33-77)114(112)79-36-22-12-23-37-79)83-60-86(125(147)148)65-94(62-83)135-118(139)99-54-46-89(68-107(99)122(135)143)127(3,4)88-45-53-98-106(67-88)121(142)134(117(98)138)93-59-74(7-2)57-85(64-93)124(145)146;59-57-53(41-23-11-3-12-24-41)49(39-19-7-1-8-20-39)51(55(57)43-27-15-5-16-28-43)45-31-35-47(36-32-45)61-48-37-33-46(34-38-48)52-50(40-21-9-2-10-22-40)54(42-25-13-4-14-26-42)58(60)56(52)44-29-17-6-18-30-44;1-4-19-7-6-8-24(14-19)40-30(42)26-11-9-22(17-28(26)32(40)44)35(3,36(37,38)39)23-10-12-27-29(18-23)33(45)41(31(27)43)25-15-20(5-2)13-21(16-25)34(46)47;2*2-1-3/h1-2,8-72H,3-5H3,(H,145,146)(H,147,148)(H,149,150);1-38H;1-2,6-18H,3H3,(H,46,47);;.
What are the key properties of bis(carbon dioxide);3-[5-[2-[2-[3-carboxy-5-[4-[4-[4-[4-[3-carboxy-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-2,3,6-triphenylphenyl]phenoxy]phenyl]-2,3,5-triphenylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-5-ethynylbenzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-[4-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenoxy]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one?
bis(carbon dioxide);3-[5-[2-[2-[3-carboxy-5-[4-[4-[4-[4-[3-carboxy-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-2,3,6-triphenylphenyl]phenoxy]phenyl]-2,3,5-triphenylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-5-ethynylbenzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-[4-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenoxy]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one has a molecular weight of 3485.56 g/mol, XLogP of 45.94, 38 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);3-[5-[2-[2-[3-carboxy-5-[4-[4-[4-[4-[3-carboxy-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-2,3,6-triphenylphenyl]phenoxy]phenyl]-2,3,5-triphenylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]-5-ethynylbenzoic acid;3-ethynyl-5-[5-[2-[2-(3-ethynylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]benzoic acid;3-[4-[4-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenoxy]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 157118415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).