9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

C307H234N10O14 — CID 158269460

IUPAC9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
SMILESCc1c2oc3cc4cc(N(c5ccc(C(C)C)cc5)c5ccc6oc7ccccc7c6c5)ccc4cc3c2cc2c1oc1cc3cc(N(c4ccc(C(C)C)cc4)c4ccc5oc6ccccc6c5c4)ccc3cc12.Cc1c2oc3cc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc4cc3c2cc2c1oc1cc3cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)ccc3cc12.Cc1ccc(N(c2cc(C)c(C)c(C)c2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccc(C)cc7)c7cc(C)c(C)c(C)c7)ccc6cc5c3cc24)cc1.Cc1ccc(N(c2cc(C)cc(C)c2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccc(C)cc7)c7cc(C)cc(C)c7)ccc6cc5c3cc24)cc1.Cc1ccc(N(c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccc(C)cc7)c7ccc(C)c(C)c7C)ccc6cc5c3cc24)c2ccc(C)c(C)c2C)cc1
InChIInChI=1S/C69H50N2O4.C63H38N2O4.2C59H50N2O2.C57H46N2O2/c1-39(2)42-14-20-48(21-15-42)70(52-26-28-64-58(36-52)54-10-6-8-12-62(54)72-64)50-24-18-44-32-56-60-38-61-57-33-45-19-25-51(31-47(45)35-67(57)75-69(61)41(5)68(60)74-66(56)34-46(44)30-50)71(49-22-16-43(17-23-49)40(3)4)53-27-29-65-59(37-53)55-11-7-9-13-63(55)73-65;1-37-62-54(50-30-38-20-22-44(28-40(38)32-60(50)68-62)64(42-12-4-2-5-13-42)46-24-26-58-52(34-46)48-16-8-10-18-56(48)66-58)36-55-51-31-39-21-23-45(29-41(39)33-61(51)69-63(37)55)65(43-14-6-3-7-15-43)47-25-27-59-53(35-47)49-17-9-11-19-57(49)67-59;1-33-10-18-46(19-11-33)60(54-24-14-35(3)37(5)39(54)7)48-22-16-42-28-50-52-32-53-51-29-43-17-23-49(61(47-20-12-34(2)13-21-47)55-25-15-36(4)38(6)40(55)8)27-45(43)31-57(51)63-59(53)41(9)58(52)62-56(50)30-44(42)26-48;1-33-10-16-46(17-11-33)60(50-22-35(3)39(7)36(4)23-50)48-20-14-42-28-52-54-32-55-53-29-43-15-21-49(61(47-18-12-34(2)13-19-47)51-24-37(5)40(8)38(6)25-51)27-45(43)31-57(53)63-59(55)41(9)58(54)62-56(52)30-44(42)26-48;1-33-8-14-44(15-9-33)58(48-22-35(3)20-36(4)23-48)46-18-12-40-28-50-52-32-53-51-29-41-13-19-47(59(45-16-10-34(2)11-17-45)49-24-37(5)21-38(6)25-49)27-43(41)31-55(51)61-57(53)39(7)56(52)60-54(50)30-42(40)26-46/h6-40H,1-5H3;2-36H,1H3;2*10-32H,1-9H3;8-32H,1-7H3
InChIKeyGIVPXYHIKAEDJN-UHFFFAOYSA-N
MW4287.30 g/mol
LogP91.83
Rot. Bonds32

About 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 158269460) has the molecular formula C307H234N10O14 and a molecular weight of 4287.30 g/mol. Its IUPAC name is 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

Molecular Properties

Compound Name9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
PubChem CID158269460
Molecular FormulaC307H234N10O14
Molecular Weight4287.30 g/mol
Exact Mass4283.79
IUPAC Name9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
SMILESCc1c2oc3cc4cc(N(c5ccc(C(C)C)cc5)c5ccc6oc7ccccc7c6c5)ccc4cc3c2cc2c1oc1cc3cc(N(c4ccc(C(C)C)cc4)c4ccc5oc6ccccc6c5c4)ccc3cc12.Cc1c2oc3cc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc4cc3c2cc2c1oc1cc3cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)ccc3cc12.Cc1ccc(N(c2cc(C)c(C)c(C)c2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccc(C)cc7)c7cc(C)c(C)c(C)c7)ccc6cc5c3cc24)cc1.Cc1ccc(N(c2cc(C)cc(C)c2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccc(C)cc7)c7cc(C)cc(C)c7)ccc6cc5c3cc24)cc1.Cc1ccc(N(c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccc(C)cc7)c7ccc(C)c(C)c7C)ccc6cc5c3cc24)c2ccc(C)c(C)c2C)cc1
InChIInChI=1S/C69H50N2O4.C63H38N2O4.2C59H50N2O2.C57H46N2O2/c1-39(2)42-14-20-48(21-15-42)70(52-26-28-64-58(36-52)54-10-6-8-12-62(54)72-64)50-24-18-44-32-56-60-38-61-57-33-45-19-25-51(31-47(45)35-67(57)75-69(61)41(5)68(60)74-66(56)34-46(44)30-50)71(49-22-16-43(17-23-49)40(3)4)53-27-29-65-59(37-53)55-11-7-9-13-63(55)73-65;1-37-62-54(50-30-38-20-22-44(28-40(38)32-60(50)68-62)64(42-12-4-2-5-13-42)46-24-26-58-52(34-46)48-16-8-10-18-56(48)66-58)36-55-51-31-39-21-23-45(29-41(39)33-61(51)69-63(37)55)65(43-14-6-3-7-15-43)47-25-27-59-53(35-47)49-17-9-11-19-57(49)67-59;1-33-10-18-46(19-11-33)60(54-24-14-35(3)37(5)39(54)7)48-22-16-42-28-50-52-32-53-51-29-43-17-23-49(61(47-20-12-34(2)13-21-47)55-25-15-36(4)38(6)40(55)8)27-45(43)31-57(51)63-59(53)41(9)58(52)62-56(50)30-44(42)26-48;1-33-10-16-46(17-11-33)60(50-22-35(3)39(7)36(4)23-50)48-20-14-42-28-52-54-32-55-53-29-43-15-21-49(61(47-18-12-34(2)13-19-47)51-24-37(5)40(8)38(6)25-51)27-45(43)31-57(53)63-59(55)41(9)58(54)62-56(52)30-44(42)26-48;1-33-8-14-44(15-9-33)58(48-22-35(3)20-36(4)23-48)46-18-12-40-28-50-52-32-53-51-29-41-13-19-47(59(45-16-10-34(2)11-17-45)49-24-37(5)21-38(6)25-49)27-43(41)31-55(51)61-57(53)39(7)56(52)60-54(50)30-42(40)26-46/h6-40H,1-5H3;2-36H,1H3;2*10-32H,1-9H3;8-32H,1-7H3
InChIKeyGIVPXYHIKAEDJN-UHFFFAOYSA-N
XLogP91.83
TPSA216.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms331
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004287.30
LogP ≤ 591.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine with MolForge

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What is the IUPAC name of 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The IUPAC name of 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 158269460) is 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.
What is the SMILES notation for 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The canonical SMILES for 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is Cc1c2oc3cc4cc(N(c5ccc(C(C)C)cc5)c5ccc6oc7ccccc7c6c5)ccc4cc3c2cc2c1oc1cc3cc(N(c4ccc(C(C)C)cc4)c4ccc5oc6ccccc6c5c4)ccc3cc12.Cc1c2oc3cc4cc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)ccc4cc3c2cc2c1oc1cc3cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)ccc3cc12.Cc1ccc(N(c2cc(C)c(C)c(C)c2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccc(C)cc7)c7cc(C)c(C)c(C)c7)ccc6cc5c3cc24)cc1.Cc1ccc(N(c2cc(C)cc(C)c2)c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccc(C)cc7)c7cc(C)cc(C)c7)ccc6cc5c3cc24)cc1.Cc1ccc(N(c2ccc3cc4c(cc3c2)oc2c(C)c3oc5cc6cc(N(c7ccc(C)cc7)c7ccc(C)c(C)c7C)ccc6cc5c3cc24)c2ccc(C)c(C)c2C)cc1.
What is the InChIKey of 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The InChIKey is GIVPXYHIKAEDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N2O4.C63H38N2O4.2C59H50N2O2.C57H46N2O2/c1-39(2)42-14-20-48(21-15-42)70(52-26-28-64-58(36-52)54-10-6-8-12-62(54)72-64)50-24-18-44-32-56-60-38-61-57-33-45-19-25-51(31-47(45)35-67(57)75-69(61)41(5)68(60)74-66(56)34-46(44)30-50)71(49-22-16-43(17-23-49)40(3)4)53-27-29-65-59(37-53)55-11-7-9-13-63(55)73-65;1-37-62-54(50-30-38-20-22-44(28-40(38)32-60(50)68-62)64(42-12-4-2-5-13-42)46-24-26-58-52(34-46)48-16-8-10-18-56(48)66-58)36-55-51-31-39-21-23-45(29-41(39)33-61(51)69-63(37)55)65(43-14-6-3-7-15-43)47-25-27-59-53(35-47)49-17-9-11-19-57(49)67-59;1-33-10-18-46(19-11-33)60(54-24-14-35(3)37(5)39(54)7)48-22-16-42-28-50-52-32-53-51-29-43-17-23-49(61(47-20-12-34(2)13-21-47)55-25-15-36(4)38(6)40(55)8)27-45(43)31-57(51)63-59(53)41(9)58(52)62-56(50)30-44(42)26-48;1-33-10-16-46(17-11-33)60(50-22-35(3)39(7)36(4)23-50)48-20-14-42-28-52-54-32-55-53-29-43-15-21-49(61(47-18-12-34(2)13-19-47)51-24-37(5)40(8)38(6)25-51)27-45(43)31-57(53)63-59(55)41(9)58(54)62-56(52)30-44(42)26-48;1-33-8-14-44(15-9-33)58(48-22-35(3)20-36(4)23-48)46-18-12-40-28-50-52-32-53-51-29-41-13-19-47(59(45-16-10-34(2)11-17-45)49-24-37(5)21-38(6)25-49)27-43(41)31-55(51)61-57(53)39(7)56(52)60-54(50)30-42(40)26-46/h6-40H,1-5H3;2-36H,1H3;2*10-32H,1-9H3;8-32H,1-7H3.
What are the key properties of 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 4287.30 g/mol, XLogP of 91.83, 32 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,23-N-bis(3,5-dimethylphenyl)-16-methyl-9-N,23-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-di(dibenzofuran-2-yl)-16-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(2,3,4-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;16-methyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-bis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 158269460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).