dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate

C188H140Cl4F6N10O38 — CID 167607779

IUPACdibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate
SMILESC=C(C)C(=O)NCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCNC(=O)C(=C)C)cc5)c5c6c(Oc7ccc(CCNC(=O)C(=C)C)cc7)cc7c8c(cc(Oc9ccc(CCNC(=O)C(=C)C)cc9)c(c2c45)c86)C(=O)N(CC(=O)OCc2cccc4c2oc2ccccc24)C7=O)C(=O)N(CC(=O)OCc2cccc4c2oc2ccccc24)C3=O)cc1.C=C(Cl)C(=O)OCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCOC(=O)C(=C)Cl)cc5)c5c6c(Oc7ccc(CCOC(=O)C(=C)Cl)cc7)cc7c8c(cc(Oc9ccc(CCOC(=O)C(=C)Cl)cc9)c(c2c45)c86)C(=O)N(C(CC(F)(F)F)C(=O)Oc2ccncc2)C7=O)C(=O)N(C(CC(F)(F)F)C(=O)Oc2ccncc2)C3=O)cc1
InChIInChI=1S/C102H82N6O18.C86H58Cl4F6N4O20/c1-55(2)95(111)103-43-39-59-23-31-65(32-24-59)121-79-47-73-85-74(100(116)107(99(73)115)51-83(109)119-53-63-15-13-19-71-69-17-9-11-21-77(69)125-93(63)71)49-81(123-67-35-27-61(28-36-67)41-45-105-97(113)57(5)6)89-90-82(124-68-37-29-62(30-38-68)42-46-106-98(114)58(7)8)50-76-86-75(48-80(88(92(86)90)87(79)91(85)89)122-66-33-25-60(26-34-66)40-44-104-96(112)56(3)4)101(117)108(102(76)118)52-84(110)120-54-64-16-14-20-72-70-18-10-12-22-78(70)126-94(64)72;1-43(87)79(105)111-33-25-47-5-13-51(14-6-47)115-63-37-57-67-58(76(102)99(75(57)101)61(41-85(91,92)93)83(109)119-55-21-29-97-30-22-55)39-65(117-53-17-9-49(10-18-53)27-35-113-81(107)45(3)89)71-72-66(118-54-19-11-50(12-20-54)28-36-114-82(108)46(4)90)40-60-68-59(77(103)100(78(60)104)62(42-86(94,95)96)84(110)120-56-23-31-98-32-24-56)38-64(70(74(68)72)69(63)73(67)71)116-52-15-7-48(8-16-52)26-34-112-80(106)44(2)88/h9-38,47-50H,1,3,5,7,39-46,51-54H2,2,4,6,8H3,(H,103,111)(H,104,112)(H,105,113)(H,106,114);5-24,29-32,37-40,61-62H,1-4,25-28,33-36,41-42H2
InChIKeyKPUIBWMBQFJTHE-UHFFFAOYSA-N
MW3403.02 g/mol
LogP36.42
Rot. Bonds64

About dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate

dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate (PubChem CID 167607779) has the molecular formula C188H140Cl4F6N10O38 and a molecular weight of 3403.02 g/mol. Its IUPAC name is dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate.

Molecular Properties

Compound Namedibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate
PubChem CID167607779
Molecular FormulaC188H140Cl4F6N10O38
Molecular Weight3403.02 g/mol
Exact Mass3398.80
IUPAC Namedibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate
SMILESC=C(C)C(=O)NCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCNC(=O)C(=C)C)cc5)c5c6c(Oc7ccc(CCNC(=O)C(=C)C)cc7)cc7c8c(cc(Oc9ccc(CCNC(=O)C(=C)C)cc9)c(c2c45)c86)C(=O)N(CC(=O)OCc2cccc4c2oc2ccccc24)C7=O)C(=O)N(CC(=O)OCc2cccc4c2oc2ccccc24)C3=O)cc1.C=C(Cl)C(=O)OCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCOC(=O)C(=C)Cl)cc5)c5c6c(Oc7ccc(CCOC(=O)C(=C)Cl)cc7)cc7c8c(cc(Oc9ccc(CCOC(=O)C(=C)Cl)cc9)c(c2c45)c86)C(=O)N(C(CC(F)(F)F)C(=O)Oc2ccncc2)C7=O)C(=O)N(C(CC(F)(F)F)C(=O)Oc2ccncc2)C3=O)cc1
InChIInChI=1S/C102H82N6O18.C86H58Cl4F6N4O20/c1-55(2)95(111)103-43-39-59-23-31-65(32-24-59)121-79-47-73-85-74(100(116)107(99(73)115)51-83(109)119-53-63-15-13-19-71-69-17-9-11-21-77(69)125-93(63)71)49-81(123-67-35-27-61(28-36-67)41-45-105-97(113)57(5)6)89-90-82(124-68-37-29-62(30-38-68)42-46-106-98(114)58(7)8)50-76-86-75(48-80(88(92(86)90)87(79)91(85)89)122-66-33-25-60(26-34-66)40-44-104-96(112)56(3)4)101(117)108(102(76)118)52-84(110)120-54-64-16-14-20-72-70-18-10-12-22-78(70)126-94(64)72;1-43(87)79(105)111-33-25-47-5-13-51(14-6-47)115-63-37-57-67-58(76(102)99(75(57)101)61(41-85(91,92)93)83(109)119-55-21-29-97-30-22-55)39-65(117-53-17-9-49(10-18-53)27-35-113-81(107)45(3)89)71-72-66(118-54-19-11-50(12-20-54)28-36-114-82(108)46(4)90)40-60-68-59(77(103)100(78(60)104)62(42-86(94,95)96)84(110)120-56-23-31-98-32-24-56)38-64(70(74(68)72)69(63)73(67)71)116-52-15-7-48(8-16-52)26-34-112-80(106)44(2)88/h9-38,47-50H,1,3,5,7,39-46,51-54H2,2,4,6,8H3,(H,103,111)(H,104,112)(H,105,113)(H,106,114);5-24,29-32,37-40,61-62H,1-4,25-28,33-36,41-42H2
InChIKeyKPUIBWMBQFJTHE-UHFFFAOYSA-N
XLogP36.42
TPSA602.22 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds64
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003403.02
LogP ≤ 536.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate?
The IUPAC name of dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate (CID 167607779) is dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate.
What is the SMILES notation for dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate?
The canonical SMILES for dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate is C=C(C)C(=O)NCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCNC(=O)C(=C)C)cc5)c5c6c(Oc7ccc(CCNC(=O)C(=C)C)cc7)cc7c8c(cc(Oc9ccc(CCNC(=O)C(=C)C)cc9)c(c2c45)c86)C(=O)N(CC(=O)OCc2cccc4c2oc2ccccc24)C7=O)C(=O)N(CC(=O)OCc2cccc4c2oc2ccccc24)C3=O)cc1.C=C(Cl)C(=O)OCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCOC(=O)C(=C)Cl)cc5)c5c6c(Oc7ccc(CCOC(=O)C(=C)Cl)cc7)cc7c8c(cc(Oc9ccc(CCOC(=O)C(=C)Cl)cc9)c(c2c45)c86)C(=O)N(C(CC(F)(F)F)C(=O)Oc2ccncc2)C7=O)C(=O)N(C(CC(F)(F)F)C(=O)Oc2ccncc2)C3=O)cc1.
What is the InChIKey of dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate?
The InChIKey is KPUIBWMBQFJTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H82N6O18.C86H58Cl4F6N4O20/c1-55(2)95(111)103-43-39-59-23-31-65(32-24-59)121-79-47-73-85-74(100(116)107(99(73)115)51-83(109)119-53-63-15-13-19-71-69-17-9-11-21-77(69)125-93(63)71)49-81(123-67-35-27-61(28-36-67)41-45-105-97(113)57(5)6)89-90-82(124-68-37-29-62(30-38-68)42-46-106-98(114)58(7)8)50-76-86-75(48-80(88(92(86)90)87(79)91(85)89)122-66-33-25-60(26-34-66)40-44-104-96(112)56(3)4)101(117)108(102(76)118)52-84(110)120-54-64-16-14-20-72-70-18-10-12-22-78(70)126-94(64)72;1-43(87)79(105)111-33-25-47-5-13-51(14-6-47)115-63-37-57-67-58(76(102)99(75(57)101)61(41-85(91,92)93)83(109)119-55-21-29-97-30-22-55)39-65(117-53-17-9-49(10-18-53)27-35-113-81(107)45(3)89)71-72-66(118-54-19-11-50(12-20-54)28-36-114-82(108)46(4)90)40-60-68-59(77(103)100(78(60)104)62(42-86(94,95)96)84(110)120-56-23-31-98-32-24-56)38-64(70(74(68)72)69(63)73(67)71)116-52-15-7-48(8-16-52)26-34-112-80(106)44(2)88/h9-38,47-50H,1,3,5,7,39-46,51-54H2,2,4,6,8H3,(H,103,111)(H,104,112)(H,105,113)(H,106,114);5-24,29-32,37-40,61-62H,1-4,25-28,33-36,41-42H2.
What are the key properties of dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate?
dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate has a molecular weight of 3403.02 g/mol, XLogP of 36.42, 64 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-4-ylmethyl 2-[18-[2-(dibenzofuran-4-ylmethoxy)-2-oxoethyl]-11,14,22,26-tetrakis[4-[2-(2-methylprop-2-enoylamino)ethyl]phenoxy]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetate;pyridin-4-yl 4,4,4-trifluoro-2-[11,14,22,26-tetrakis[4-[2-(2-chloroprop-2-enoyloxy)ethyl]phenoxy]-6,8,17,19-tetraoxo-18-(4,4,4-trifluoro-1-oxo-1-pyridin-4-yloxybutan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate is sourced from PubChem (CID 167607779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).