About 10-[19-[7,18-bis(2-butyloctyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-4,14-bis(2-butyloctyl)-3,5,13,15-tetraoxo-4,14-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),7,9,11(22),12(16),17(21),18-octaen-9-yl]-7,18-bis(2-butyloctyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;10-[7'-[7,18-di(heptan-4-yl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-9,9'-spirobi[fluorene]-2'-yl]-7,18-di(heptan-4-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
10-[19-[7,18-bis(2-butyloctyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-4,14-bis(2-butyloctyl)-3,5,13,15-tetraoxo-4,14-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),7,9,11(22),12(16),17(21),18-octaen-9-yl]-7,18-bis(2-butyloctyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;10-[7'-[7,18-di(heptan-4-yl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-9,9'-spirobi[fluorene]-2'-yl]-7,18-di(heptan-4-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (PubChem CID 158097994) has the molecular formula C241H256N10O20
and a molecular weight of 3612.75 g/mol. Its IUPAC name is 10-[19-[7,18-bis(2-butyloctyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-4,14-bis(2-butyloctyl)-3,5,13,15-tetraoxo-4,14-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),7,9,11(22),12(16),17(21),18-octaen-9-yl]-7,18-bis(2-butyloctyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;10-[7'-[7,18-di(heptan-4-yl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-9,9'-spirobi[fluorene]-2'-yl]-7,18-di(heptan-4-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.
Frequently Asked Questions
What is the IUPAC name of 10-[19-[7,18-bis(2-butyloctyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-4,14-bis(2-butyloctyl)-3,5,13,15-tetraoxo-4,14-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),7,9,11(22),12(16),17(21),18-octaen-9-yl]-7,18-bis(2-butyloctyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;10-[7'-[7,18-di(heptan-4-yl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-9,9'-spirobi[fluorene]-2'-yl]-7,18-di(heptan-4-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The IUPAC name of 10-[19-[7,18-bis(2-butyloctyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-4,14-bis(2-butyloctyl)-3,5,13,15-tetraoxo-4,14-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),7,9,11(22),12(16),17(21),18-octaen-9-yl]-7,18-bis(2-butyloctyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;10-[7'-[7,18-di(heptan-4-yl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-9,9'-spirobi[fluorene]-2'-yl]-7,18-di(heptan-4-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (CID 158097994) is 10-[19-[7,18-bis(2-butyloctyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-4,14-bis(2-butyloctyl)-3,5,13,15-tetraoxo-4,14-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),7,9,11(22),12(16),17(21),18-octaen-9-yl]-7,18-bis(2-butyloctyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;10-[7'-[7,18-di(heptan-4-yl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-9,9'-spirobi[fluorene]-2'-yl]-7,18-di(heptan-4-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.
What is the SMILES notation for 10-[19-[7,18-bis(2-butyloctyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-4,14-bis(2-butyloctyl)-3,5,13,15-tetraoxo-4,14-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),7,9,11(22),12(16),17(21),18-octaen-9-yl]-7,18-bis(2-butyloctyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;10-[7'-[7,18-di(heptan-4-yl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-9,9'-spirobi[fluorene]-2'-yl]-7,18-di(heptan-4-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The canonical SMILES for 10-[19-[7,18-bis(2-butyloctyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-4,14-bis(2-butyloctyl)-3,5,13,15-tetraoxo-4,14-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),7,9,11(22),12(16),17(21),18-octaen-9-yl]-7,18-bis(2-butyloctyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;10-[7'-[7,18-di(heptan-4-yl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-9,9'-spirobi[fluorene]-2'-yl]-7,18-di(heptan-4-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is CCCC(CCC)N1C(=O)c2ccc3c4ccc5c6c(c(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7cc(-c9cc%10c%11ccc%12c%13c(ccc(c%14ccc%15c(c9C(=O)N(C(CCC)CCC)C%15=O)c%14%10)c%13%11)C(=O)N(C(CCC)CCC)C%12=O)ccc7-8)cc(c7ccc(c2c37)C1=O)c64)C(=O)N(C(CCC)CCC)C5=O.CCCCCCC(CCCC)CN1C(=O)c2ccc3c4ccc5c6c(c(-c7cc8c9c(=O)n(CC(CCCC)CCCCCC)c(=O)c9c9cc(-c%10cc%11c%12ccc%13c%14c(ccc(c%15ccc%16c(c%10C(=O)N(CC(CCCC)CCCCCC)C%16=O)c%15%11)c%14%12)C(=O)N(CC(CCCC)CCCCCC)C%13=O)cc%10c%11c(=O)n(CC(CCCC)CCCCCC)c(=O)c%11c(c7)c8c9%10)cc(c7ccc(c2c37)C1=O)c64)C(=O)N(CC(CCCC)CCCCCC)C5=O.
What is the InChIKey of 10-[19-[7,18-bis(2-butyloctyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-4,14-bis(2-butyloctyl)-3,5,13,15-tetraoxo-4,14-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),7,9,11(22),12(16),17(21),18-octaen-9-yl]-7,18-bis(2-butyloctyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;10-[7'-[7,18-di(heptan-4-yl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-9,9'-spirobi[fluorene]-2'-yl]-7,18-di(heptan-4-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The InChIKey is FOXAZQQCWTUSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H168N6O12.C101H88N4O8/c1-13-25-37-43-55-85(49-31-19-7)79-141-129(147)99-67-61-93-95-63-71-103-121-115(95)107(97-65-69-101(131(141)149)117(99)113(93)97)77-105(123(121)135(153)143(133(103)151)81-87(51-33-21-9)57-45-39-27-15-3)91-73-109-119-110(74-91)126-128(140(158)146(138(126)156)84-90(54-36-24-12)60-48-42-30-18-6)112-76-92(75-111(120(112)119)127-125(109)137(155)145(139(127)157)83-89(53-35-23-11)59-47-41-29-17-5)106-78-108-98-66-70-102-118-100(130(148)142(132(102)150)80-86(50-32-20-8)56-44-38-26-14-2)68-62-94(114(98)118)96-64-72-104-122(116(96)108)124(106)136(154)144(134(104)152)82-88(52-34-22-10)58-46-40-28-16-4;1-9-21-55(22-10-2)102-93(106)69-43-37-63-65-39-47-73-89-85(65)77(67-41-45-71(95(102)108)87(69)83(63)67)51-75(91(89)99(112)104(97(73)110)57(25-13-5)26-14-6)53-33-35-61-62-36-34-54(50-82(62)101(81(61)49-53)79-31-19-17-29-59(79)60-30-18-20-32-80(60)101)76-52-78-68-42-46-72-88-70(94(107)103(96(72)109)56(23-11-3)24-12-4)44-38-64(84(68)88)66-40-48-74-90(86(66)78)92(76)100(113)105(98(74)111)58(27-15-7)28-16-8/h61-78,85-90H,13-60,79-84H2,1-12H3;17-20,29-52,55-58H,9-16,21-28H2,1-8H3.
What are the key properties of 10-[19-[7,18-bis(2-butyloctyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-4,14-bis(2-butyloctyl)-3,5,13,15-tetraoxo-4,14-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),7,9,11(22),12(16),17(21),18-octaen-9-yl]-7,18-bis(2-butyloctyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;10-[7'-[7,18-di(heptan-4-yl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-9,9'-spirobi[fluorene]-2'-yl]-7,18-di(heptan-4-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
10-[19-[7,18-bis(2-butyloctyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-4,14-bis(2-butyloctyl)-3,5,13,15-tetraoxo-4,14-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),7,9,11(22),12(16),17(21),18-octaen-9-yl]-7,18-bis(2-butyloctyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;10-[7'-[7,18-di(heptan-4-yl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-9,9'-spirobi[fluorene]-2'-yl]-7,18-di(heptan-4-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone has a molecular weight of 3612.75 g/mol, XLogP of 59.01, 84 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[19-[7,18-bis(2-butyloctyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-4,14-bis(2-butyloctyl)-3,5,13,15-tetraoxo-4,14-diazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(20),2(6),7,9,11(22),12(16),17(21),18-octaen-9-yl]-7,18-bis(2-butyloctyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;10-[7'-[7,18-di(heptan-4-yl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-10-yl]-9,9'-spirobi[fluorene]-2'-yl]-7,18-di(heptan-4-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 158097994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).