7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

C251H189F3N20O46S — CID 165028300

IUPAC7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
SMILESC=CCN1C(=O)C2(C)C(C)(C1=O)C1(C)C(=O)N(CC=C)C(=O)C21C.C=CCN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(CC=C)C4=O)C(F)(F)F)cc2C1=O.C=CCN1C(=O)c2ccc(C3(c4ccc5c(c4)C(=O)N(CC=C)C5=O)c4ccccc4-c4ccccc43)cc2C1=O.C=CCN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(CC=C)C6=O)cc4)cc3)cc2C1=O.C=CCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CC=C)C4=O)cc2C1=O.C=CCN1C(=O)c2ccc(Oc3cccc4c3C(=O)N(CC=C)C4=O)cc2C1=O.C=CCN1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(CC=C)C4=O)cc2C1=O.C=CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC=C)C3=O.C=CCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CC=C)C5=O.C=CCn1c(=O)c2cc3cc4c(=O)n(CC=C)c(=O)c4cc3cc2c1=O
InChIInChI=1S/C37H30N2O6.C35H24N2O4.C30H18N2O4.C25H19F3N2O4.C22H16N2O6S.2C22H16N2O5.2C20H14N2O4.C18H22N2O4/c1-5-19-38-33(40)29-17-15-27(21-31(29)35(38)42)44-25-11-7-23(8-12-25)37(3,4)24-9-13-26(14-10-24)45-28-16-18-30-32(22-28)36(43)39(20-6-2)34(30)41;1-3-17-36-31(38)25-15-13-21(19-27(25)33(36)40)35(29-11-7-5-9-23(29)24-10-6-8-12-30(24)35)22-14-16-26-28(20-22)34(41)37(18-4-2)32(26)39;1-3-13-31-27(33)19-9-5-15-17-7-11-21-26-22(30(36)32(14-4-2)29(21)35)12-8-18(24(17)26)16-6-10-20(28(31)34)25(19)23(15)16;1-4-10-29-20(31)16-8-6-14(12-18(16)22(29)33)24(3,25(26,27)28)15-7-9-17-19(13-15)23(34)30(11-5-2)21(17)32;1-3-9-23-19(25)15-7-5-13(11-17(15)21(23)27)31(29,30)14-6-8-16-18(12-14)22(28)24(10-4-2)20(16)26;1-3-9-23-19(25)15-7-5-13(11-17(15)21(23)27)29-14-6-8-16-18(12-14)22(28)24(10-4-2)20(16)26;1-3-10-23-19(25)14-9-8-13(12-16(14)21(23)27)29-17-7-5-6-15-18(17)22(28)24(11-4-2)20(15)26;1-3-9-21-17(23)11-5-7-13-16-14(8-6-12(15(11)16)18(21)24)20(26)22(10-4-2)19(13)25;1-3-5-21-17(23)13-7-11-9-15-16(10-12(11)8-14(13)18(21)24)20(26)22(6-4-2)19(15)25;1-7-9-19-11(21)15(3)16(4,12(19)22)18(6)14(24)20(10-8-2)13(23)17(15,18)5/h5-18,21-22H,1-2,19-20H2,3-4H3;3-16,19-20H,1-2,17-18H2;3-12H,1-2,13-14H2;4-9,12-13H,1-2,10-11H2,3H3;3-8,11-12H,1-2,9-10H2;3-8,11-12H,1-2,9-10H2;3-9,12H,1-2,10-11H2;3-8H,1-2,9-10H2;3-4,7-10H,1-2,5-6H2;7-8H,1-2,9-10H2,3-6H3
InChIKeyMFXDENQNHGYNDC-UHFFFAOYSA-N
MW4310.43 g/mol
LogP35.34
Rot. Bonds56

About 7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (PubChem CID 165028300) has the molecular formula C251H189F3N20O46S and a molecular weight of 4310.43 g/mol. Its IUPAC name is 7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.

Molecular Properties

Compound Name7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
PubChem CID165028300
Molecular FormulaC251H189F3N20O46S
Molecular Weight4310.43 g/mol
Exact Mass4307.27
IUPAC Name7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
SMILESC=CCN1C(=O)C2(C)C(C)(C1=O)C1(C)C(=O)N(CC=C)C(=O)C21C.C=CCN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(CC=C)C4=O)C(F)(F)F)cc2C1=O.C=CCN1C(=O)c2ccc(C3(c4ccc5c(c4)C(=O)N(CC=C)C5=O)c4ccccc4-c4ccccc43)cc2C1=O.C=CCN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(CC=C)C6=O)cc4)cc3)cc2C1=O.C=CCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CC=C)C4=O)cc2C1=O.C=CCN1C(=O)c2ccc(Oc3cccc4c3C(=O)N(CC=C)C4=O)cc2C1=O.C=CCN1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(CC=C)C4=O)cc2C1=O.C=CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC=C)C3=O.C=CCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CC=C)C5=O.C=CCn1c(=O)c2cc3cc4c(=O)n(CC=C)c(=O)c4cc3cc2c1=O
InChIInChI=1S/C37H30N2O6.C35H24N2O4.C30H18N2O4.C25H19F3N2O4.C22H16N2O6S.2C22H16N2O5.2C20H14N2O4.C18H22N2O4/c1-5-19-38-33(40)29-17-15-27(21-31(29)35(38)42)44-25-11-7-23(8-12-25)37(3,4)24-9-13-26(14-10-24)45-28-16-18-30-32(22-28)36(43)39(20-6-2)34(30)41;1-3-17-36-31(38)25-15-13-21(19-27(25)33(36)40)35(29-11-7-5-9-23(29)24-10-6-8-12-30(24)35)22-14-16-26-28(20-22)34(41)37(18-4-2)32(26)39;1-3-13-31-27(33)19-9-5-15-17-7-11-21-26-22(30(36)32(14-4-2)29(21)35)12-8-18(24(17)26)16-6-10-20(28(31)34)25(19)23(15)16;1-4-10-29-20(31)16-8-6-14(12-18(16)22(29)33)24(3,25(26,27)28)15-7-9-17-19(13-15)23(34)30(11-5-2)21(17)32;1-3-9-23-19(25)15-7-5-13(11-17(15)21(23)27)31(29,30)14-6-8-16-18(12-14)22(28)24(10-4-2)20(16)26;1-3-9-23-19(25)15-7-5-13(11-17(15)21(23)27)29-14-6-8-16-18(12-14)22(28)24(10-4-2)20(16)26;1-3-10-23-19(25)14-9-8-13(12-16(14)21(23)27)29-17-7-5-6-15-18(17)22(28)24(11-4-2)20(15)26;1-3-9-21-17(23)11-5-7-13-16-14(8-6-12(15(11)16)18(21)24)20(26)22(10-4-2)19(13)25;1-3-5-21-17(23)13-7-11-9-15-16(10-12(11)8-14(13)18(21)24)20(26)22(6-4-2)19(15)25;1-7-9-19-11(21)15(3)16(4,12(19)22)18(6)14(24)20(10-8-2)13(23)17(15,18)5/h5-18,21-22H,1-2,19-20H2,3-4H3;3-16,19-20H,1-2,17-18H2;3-12H,1-2,13-14H2;4-9,12-13H,1-2,10-11H2,3H3;3-8,11-12H,1-2,9-10H2;3-8,11-12H,1-2,9-10H2;3-9,12H,1-2,10-11H2;3-8H,1-2,9-10H2;3-4,7-10H,1-2,5-6H2;7-8H,1-2,9-10H2,3-6H3
InChIKeyMFXDENQNHGYNDC-UHFFFAOYSA-N
XLogP35.34
TPSA822.04 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds56
Heavy Atoms321
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004310.43
LogP ≤ 535.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone with MolForge

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What is the IUPAC name of 7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The IUPAC name of 7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone (CID 165028300) is 7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone.
What is the SMILES notation for 7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The canonical SMILES for 7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is C=CCN1C(=O)C2(C)C(C)(C1=O)C1(C)C(=O)N(CC=C)C(=O)C21C.C=CCN1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(CC=C)C4=O)C(F)(F)F)cc2C1=O.C=CCN1C(=O)c2ccc(C3(c4ccc5c(c4)C(=O)N(CC=C)C5=O)c4ccccc4-c4ccccc43)cc2C1=O.C=CCN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(CC=C)C6=O)cc4)cc3)cc2C1=O.C=CCN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(CC=C)C4=O)cc2C1=O.C=CCN1C(=O)c2ccc(Oc3cccc4c3C(=O)N(CC=C)C4=O)cc2C1=O.C=CCN1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(CC=C)C4=O)cc2C1=O.C=CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC=C)C3=O.C=CCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CC=C)C5=O.C=CCn1c(=O)c2cc3cc4c(=O)n(CC=C)c(=O)c4cc3cc2c1=O.
What is the InChIKey of 7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
The InChIKey is MFXDENQNHGYNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2O6.C35H24N2O4.C30H18N2O4.C25H19F3N2O4.C22H16N2O6S.2C22H16N2O5.2C20H14N2O4.C18H22N2O4/c1-5-19-38-33(40)29-17-15-27(21-31(29)35(38)42)44-25-11-7-23(8-12-25)37(3,4)24-9-13-26(14-10-24)45-28-16-18-30-32(22-28)36(43)39(20-6-2)34(30)41;1-3-17-36-31(38)25-15-13-21(19-27(25)33(36)40)35(29-11-7-5-9-23(29)24-10-6-8-12-30(24)35)22-14-16-26-28(20-22)34(41)37(18-4-2)32(26)39;1-3-13-31-27(33)19-9-5-15-17-7-11-21-26-22(30(36)32(14-4-2)29(21)35)12-8-18(24(17)26)16-6-10-20(28(31)34)25(19)23(15)16;1-4-10-29-20(31)16-8-6-14(12-18(16)22(29)33)24(3,25(26,27)28)15-7-9-17-19(13-15)23(34)30(11-5-2)21(17)32;1-3-9-23-19(25)15-7-5-13(11-17(15)21(23)27)31(29,30)14-6-8-16-18(12-14)22(28)24(10-4-2)20(16)26;1-3-9-23-19(25)15-7-5-13(11-17(15)21(23)27)29-14-6-8-16-18(12-14)22(28)24(10-4-2)20(16)26;1-3-10-23-19(25)14-9-8-13(12-16(14)21(23)27)29-17-7-5-6-15-18(17)22(28)24(11-4-2)20(15)26;1-3-9-21-17(23)11-5-7-13-16-14(8-6-12(15(11)16)18(21)24)20(26)22(10-4-2)19(13)25;1-3-5-21-17(23)13-7-11-9-15-16(10-12(11)8-14(13)18(21)24)20(26)22(6-4-2)19(15)25;1-7-9-19-11(21)15(3)16(4,12(19)22)18(6)14(24)20(10-8-2)13(23)17(15,18)5/h5-18,21-22H,1-2,19-20H2,3-4H3;3-16,19-20H,1-2,17-18H2;3-12H,1-2,13-14H2;4-9,12-13H,1-2,10-11H2,3H3;3-8,11-12H,1-2,9-10H2;3-8,11-12H,1-2,9-10H2;3-9,12H,1-2,10-11H2;3-8H,1-2,9-10H2;3-4,7-10H,1-2,5-6H2;7-8H,1-2,9-10H2,3-6H3.
What are the key properties of 7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone?
7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone has a molecular weight of 4310.43 g/mol, XLogP of 35.34, 56 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 7,18-bis(prop-2-enyl)-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;6,13-bis(prop-2-enyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone;5-[9-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)fluoren-9-yl]-2-prop-2-enylisoindole-1,3-dione;5-[4-[2-[4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-prop-2-enylisoindole-1,3-dione;4-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)oxy-2-prop-2-enylisoindole-1,3-dione;5-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)sulfonyl-2-prop-2-enylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-prop-2-enylisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-prop-2-enylisoindole-1,3-dione;1,2,6,7-tetramethyl-4,9-bis(prop-2-enyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone is sourced from PubChem (CID 165028300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).