[2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate

C245H254I10O60 — CID 159380631

IUPAC[2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccc(-c2ccc3c(c2)C(c2cc(I)c(OCC(=O)OC(C)(C)C)c(I)c2)c2cc(-c4ccc(OCC(=O)OC(C)(C)C)cc4)ccc2O3)cc1.CC(C)(C)OC(=O)Oc1ccc(-c2ccc(OC(=O)OC(C)(C)C)c(C(c3cc(-c4ccc(OC(=O)OC(C)(C)C)cc4)ccc3OC(=O)OC(C)(C)C)c3cc(I)cc(I)c3OC(=O)OC(C)(C)C)c2)cc1.CC(C)(C)OC(=O)Oc1ccc(-c2ccc(OC(=O)OC(C)(C)C)c(C(c3cc(I)c(OC(=O)OC(C)(C)C)c(I)c3)c3cc(-c4ccc(OC(=O)OC(C)(C)C)cc4)ccc3OC(=O)OC(C)(C)C)c2)cc1.CC(C)(C)OC(=O)Oc1ccc2ccc3c(c2c1)C(c1cc(I)c(OC(=O)OC(C)(C)C)c(I)c1)c1c(ccc2ccc(OC(=O)OC(C)(C)C)cc12)O3.CC(C)(C)OC(=O)Oc1ccc2ccc3c(c2c1)C(c1cc(I)cc(I)c1OC(=O)OC(C)(C)C)c1c(ccc2ccc(OC(=O)OC(C)(C)C)cc12)O3
InChIInChI=1S/2C56H62I2O15.C49H50I2O10.2C42H40I2O10/c1-52(2,3)69-47(59)64-37-22-16-32(17-23-37)34-20-26-43(66-49(61)71-54(7,8)9)39(28-34)45(41-30-36(57)31-42(58)46(41)68-51(63)73-56(13,14)15)40-29-35(21-27-44(40)67-50(62)72-55(10,11)12)33-18-24-38(25-19-33)65-48(60)70-53(4,5)6;1-52(2,3)69-47(59)64-37-22-16-32(17-23-37)34-20-26-43(66-49(61)71-54(7,8)9)39(28-34)45(36-30-41(57)46(42(58)31-36)68-51(63)73-56(13,14)15)40-29-35(21-27-44(40)67-50(62)72-55(10,11)12)33-18-24-38(25-19-33)65-48(60)70-53(4,5)6;1-47(2,3)59-42(52)26-55-34-16-10-29(11-17-34)31-14-20-40-36(22-31)45(33-24-38(50)46(39(51)25-33)57-28-44(54)61-49(7,8)9)37-23-32(15-21-41(37)58-40)30-12-18-35(19-13-30)56-27-43(53)60-48(4,5)6;1-40(2,3)52-37(45)48-25-14-10-22-12-16-31-33(27(22)20-25)35(29-18-24(43)19-30(44)36(29)51-39(47)54-42(7,8)9)34-28-21-26(49-38(46)53-41(4,5)6)15-11-23(28)13-17-32(34)50-31;1-40(2,3)52-37(45)48-25-14-10-22-12-16-31-34(27(22)20-25)33(24-18-29(43)36(30(44)19-24)51-39(47)54-42(7,8)9)35-28-21-26(49-38(46)53-41(4,5)6)15-11-23(28)13-17-32(35)50-31/h2*16-31,45H,1-15H3;10-25,45H,26-28H2,1-9H3;10-21,35H,1-9H3;10-21,33H,1-9H3
InChIKeyLKVYWHSBSKHSSZ-UHFFFAOYSA-N
MW5427.71 g/mol
LogP68.50
Rot. Bonds40

About [2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate

[2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate (PubChem CID 159380631) has the molecular formula C245H254I10O60 and a molecular weight of 5427.71 g/mol. Its IUPAC name is [2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate.

Molecular Properties

Compound Name[2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate
PubChem CID159380631
Molecular FormulaC245H254I10O60
Molecular Weight5427.71 g/mol
Exact Mass5424.73
IUPAC Name[2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccc(-c2ccc3c(c2)C(c2cc(I)c(OCC(=O)OC(C)(C)C)c(I)c2)c2cc(-c4ccc(OCC(=O)OC(C)(C)C)cc4)ccc2O3)cc1.CC(C)(C)OC(=O)Oc1ccc(-c2ccc(OC(=O)OC(C)(C)C)c(C(c3cc(-c4ccc(OC(=O)OC(C)(C)C)cc4)ccc3OC(=O)OC(C)(C)C)c3cc(I)cc(I)c3OC(=O)OC(C)(C)C)c2)cc1.CC(C)(C)OC(=O)Oc1ccc(-c2ccc(OC(=O)OC(C)(C)C)c(C(c3cc(I)c(OC(=O)OC(C)(C)C)c(I)c3)c3cc(-c4ccc(OC(=O)OC(C)(C)C)cc4)ccc3OC(=O)OC(C)(C)C)c2)cc1.CC(C)(C)OC(=O)Oc1ccc2ccc3c(c2c1)C(c1cc(I)c(OC(=O)OC(C)(C)C)c(I)c1)c1c(ccc2ccc(OC(=O)OC(C)(C)C)cc12)O3.CC(C)(C)OC(=O)Oc1ccc2ccc3c(c2c1)C(c1cc(I)cc(I)c1OC(=O)OC(C)(C)C)c1c(ccc2ccc(OC(=O)OC(C)(C)C)cc12)O3
InChIInChI=1S/2C56H62I2O15.C49H50I2O10.2C42H40I2O10/c1-52(2,3)69-47(59)64-37-22-16-32(17-23-37)34-20-26-43(66-49(61)71-54(7,8)9)39(28-34)45(41-30-36(57)31-42(58)46(41)68-51(63)73-56(13,14)15)40-29-35(21-27-44(40)67-50(62)72-55(10,11)12)33-18-24-38(25-19-33)65-48(60)70-53(4,5)6;1-52(2,3)69-47(59)64-37-22-16-32(17-23-37)34-20-26-43(66-49(61)71-54(7,8)9)39(28-34)45(36-30-41(57)46(42(58)31-36)68-51(63)73-56(13,14)15)40-29-35(21-27-44(40)67-50(62)72-55(10,11)12)33-18-24-38(25-19-33)65-48(60)70-53(4,5)6;1-47(2,3)59-42(52)26-55-34-16-10-29(11-17-34)31-14-20-40-36(22-31)45(33-24-38(50)46(39(51)25-33)57-28-44(54)61-49(7,8)9)37-23-32(15-21-41(37)58-40)30-12-18-35(19-13-30)56-27-43(53)60-48(4,5)6;1-40(2,3)52-37(45)48-25-14-10-22-12-16-31-33(27(22)20-25)35(29-18-24(43)19-30(44)36(29)51-39(47)54-42(7,8)9)34-28-21-26(49-38(46)53-41(4,5)6)15-11-23(28)13-17-32(34)50-31;1-40(2,3)52-37(45)48-25-14-10-22-12-16-31-34(27(22)20-25)33(24-18-29(43)36(30(44)19-24)51-39(47)54-42(7,8)9)35-28-21-26(49-38(46)53-41(4,5)6)15-11-23(28)13-17-32(35)50-31/h2*16-31,45H,1-15H3;10-25,45H,26-28H2,1-9H3;10-21,35H,1-9H3;10-21,33H,1-9H3
InChIKeyLKVYWHSBSKHSSZ-UHFFFAOYSA-N
XLogP68.50
TPSA702.76 Ų
H-Bond Donors
H-Bond Acceptors60
Rotatable Bonds40
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005427.71
LogP ≤ 568.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1060

Analyze [2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate with MolForge

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Related Compounds

tert-butyl [20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl 2-[[20-hydroxy-2-(2-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;tert-butyl 2-[[20-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate;ethane;2-[1-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]ethyl]-4-(4-hydroxyphenyl)phenol;bis(2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethyl]-4-(4-hydroxyphenyl)phenol);iodomethane;2-methyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol;naphthalene;bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-6,20-diol);bis(2-phenyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol)
CID 159565561
[2-[7,19-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate
CID 157186641
tert-butyl 2-[[2-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-20-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl]oxy]acetate
CID 156544923
tert-butyl [2-(4-hydroxy-3-iodo-5-methoxyphenyl)-20-[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate;tert-butyl [2-(5-iodofuran-2-yl)-20-[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-6-yl] carbonate
CID 158194056
tert-butyl [2-(3-iodophenyl)-19-[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-7-yl] carbonate;2-(3-iodophenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol
CID 163726075
tert-butyl [2-(5-iodofuran-2-yl)-19-[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-7-yl] carbonate
CID 126674474
12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane;4-methoxyphenol
CID 163852181
1,4-dimethoxybenzene;12-(2,7-dimethoxynaphthalen-1-yl)-8,10-diiodo-2-methoxy-12H-benzo[a]xanthene;methoxymethane
CID 163516213
tert-butyl 2-[4-[3-[(Z)-1-[3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-2-[(E)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]prop-1-enyl]pent-2-enyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]phenoxy]acetate
CID 156545149
tert-butyl 2-[(3-oxo-1,2-dihydrobenzo[f]chromen-8-yl)oxy]acetate
CID 54520651
tert-butyl (4-iodophenyl) carbonate
CID 22345872
tert-butyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 14775456

Frequently Asked Questions

What is the IUPAC name of [2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate?
The IUPAC name of [2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate (CID 159380631) is [2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate.
What is the SMILES notation for [2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate?
The canonical SMILES for [2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate is CC(C)(C)OC(=O)COc1ccc(-c2ccc3c(c2)C(c2cc(I)c(OCC(=O)OC(C)(C)C)c(I)c2)c2cc(-c4ccc(OCC(=O)OC(C)(C)C)cc4)ccc2O3)cc1.CC(C)(C)OC(=O)Oc1ccc(-c2ccc(OC(=O)OC(C)(C)C)c(C(c3cc(-c4ccc(OC(=O)OC(C)(C)C)cc4)ccc3OC(=O)OC(C)(C)C)c3cc(I)cc(I)c3OC(=O)OC(C)(C)C)c2)cc1.CC(C)(C)OC(=O)Oc1ccc(-c2ccc(OC(=O)OC(C)(C)C)c(C(c3cc(I)c(OC(=O)OC(C)(C)C)c(I)c3)c3cc(-c4ccc(OC(=O)OC(C)(C)C)cc4)ccc3OC(=O)OC(C)(C)C)c2)cc1.CC(C)(C)OC(=O)Oc1ccc2ccc3c(c2c1)C(c1cc(I)c(OC(=O)OC(C)(C)C)c(I)c1)c1c(ccc2ccc(OC(=O)OC(C)(C)C)cc12)O3.CC(C)(C)OC(=O)Oc1ccc2ccc3c(c2c1)C(c1cc(I)cc(I)c1OC(=O)OC(C)(C)C)c1c(ccc2ccc(OC(=O)OC(C)(C)C)cc12)O3.
What is the InChIKey of [2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate?
The InChIKey is LKVYWHSBSKHSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H62I2O15.C49H50I2O10.2C42H40I2O10/c1-52(2,3)69-47(59)64-37-22-16-32(17-23-37)34-20-26-43(66-49(61)71-54(7,8)9)39(28-34)45(41-30-36(57)31-42(58)46(41)68-51(63)73-56(13,14)15)40-29-35(21-27-44(40)67-50(62)72-55(10,11)12)33-18-24-38(25-19-33)65-48(60)70-53(4,5)6;1-52(2,3)69-47(59)64-37-22-16-32(17-23-37)34-20-26-43(66-49(61)71-54(7,8)9)39(28-34)45(36-30-41(57)46(42(58)31-36)68-51(63)73-56(13,14)15)40-29-35(21-27-44(40)67-50(62)72-55(10,11)12)33-18-24-38(25-19-33)65-48(60)70-53(4,5)6;1-47(2,3)59-42(52)26-55-34-16-10-29(11-17-34)31-14-20-40-36(22-31)45(33-24-38(50)46(39(51)25-33)57-28-44(54)61-49(7,8)9)37-23-32(15-21-41(37)58-40)30-12-18-35(19-13-30)56-27-43(53)60-48(4,5)6;1-40(2,3)52-37(45)48-25-14-10-22-12-16-31-33(27(22)20-25)35(29-18-24(43)19-30(44)36(29)51-39(47)54-42(7,8)9)34-28-21-26(49-38(46)53-41(4,5)6)15-11-23(28)13-17-32(34)50-31;1-40(2,3)52-37(45)48-25-14-10-22-12-16-31-34(27(22)20-25)33(24-18-29(43)36(30(44)19-24)51-39(47)54-42(7,8)9)35-28-21-26(49-38(46)53-41(4,5)6)15-11-23(28)13-17-32(35)50-31/h2*16-31,45H,1-15H3;10-25,45H,26-28H2,1-9H3;10-21,35H,1-9H3;10-21,33H,1-9H3.
What are the key properties of [2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate?
[2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate has a molecular weight of 5427.71 g/mol, XLogP of 68.50, 40 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]methyl]-2,6-diiodophenyl] tert-butyl carbonate;[2-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-4,6-diiodophenyl] tert-butyl carbonate;[4-[6,20-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl]-2,6-diiodophenyl] tert-butyl carbonate;tert-butyl 2-[4-[9-[3,5-diiodo-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-7-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-9H-xanthen-2-yl]phenoxy]acetate is sourced from PubChem (CID 159380631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).