8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

C366H280F2N20O2Si2 — CID 167535541

IUPAC8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5cccc6c7c(-c8ccccc8)c8c(c(-c9ccccc9)c7n(c4c3)c56)c3cccc4c5ccc(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc5n8c43)cccc12.Cc1cc(N(c2cc(C)c(C(C)C)c(C)c2)c2ccc3c4cccc5c6cc7c(cc6n(c3c2)c45)c2cccc3c4ccc(N(c5cc(C)c(C(C)C)c(C)c5)c5cc(C)c(C(C)C)c(C)c5)cc4n7c32)cc(C)c1C(C)C.Cc1ccc(N(c2ccccc2)c2ccc3c4cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n(c3c2)c45)c2cccc3c4ccc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)cc4n7c32)cc1.Cc1cccc(N(c2ccccc2)c2ccc3c4cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n(c3c2)c45)c2cccc3c4ccc(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cc4n7c32)c1.Fc1ccccc1N(c1ccccc1)c1ccc2c3cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4)c4ccccc4F)cc3n6c21
InChIInChI=1S/C86H62N4O2.C74H74N4.2C70H52N4Si.C66H40F2N4/c1-85(2,3)67-41-21-35-61-63-37-23-43-69(83(63)91-81(61)67)87(53-29-15-9-16-30-53)55-45-47-57-59-33-19-39-65-75-74(52-27-13-8-14-28-52)80-76(73(51-25-11-7-12-26-51)79(75)89(77(59)65)71(57)49-55)66-40-20-34-60-58-48-46-56(50-72(58)90(80)78(60)66)88(54-31-17-10-18-32-54)70-44-24-38-64-62-36-22-42-68(86(4,5)6)82(62)92-84(64)70;1-39(2)69-43(9)27-53(28-44(69)10)75(54-29-45(11)70(40(3)4)46(12)30-54)51-23-25-57-59-19-17-21-61-63-38-68-64(37-67(63)77(73(59)61)65(57)35-51)62-22-18-20-60-58-26-24-52(36-66(58)78(68)74(60)62)76(55-31-47(13)71(41(5)6)48(14)32-55)56-33-49(15)72(42(7)8)50(16)34-56;1-45-21-17-30-50(41-45)71(48-26-13-7-14-27-48)52-37-39-55-57-33-19-35-59-65-64(47-24-11-6-12-25-47)70-66(63(46-22-9-5-10-23-46)69(65)73(67(57)59)61(55)43-52)60-36-20-34-58-56-40-38-53(44-62(56)74(70)68(58)60)72(49-28-15-8-16-29-49)51-31-18-32-54(42-51)75(2,3)4;1-45-31-33-50(34-32-45)71(48-23-13-7-14-24-48)52-37-41-55-57-27-17-29-59-65-64(47-21-11-6-12-22-47)70-66(63(46-19-9-5-10-20-46)69(65)73(67(57)59)61(55)43-52)60-30-18-28-58-56-42-38-53(44-62(56)74(70)68(58)60)72(49-25-15-8-16-26-49)51-35-39-54(40-36-51)75(2,3)4;67-53-31-13-15-33-55(53)69(43-23-9-3-10-24-43)45-35-37-47-50-28-18-30-52-62-60(42-21-7-2-8-22-42)66-61(59(41-19-5-1-6-20-41)65(62)71(64(50)52)57(47)39-45)51-29-17-27-49-48-38-36-46(40-58(48)72(66)63(49)51)70(44-25-11-4-12-26-44)56-34-16-14-32-54(56)68/h7-50H,1-6H3;17-42H,1-16H3;2*5-44H,1-4H3;1-40H
InChIKeyAMYAPEDMQIULQW-UHFFFAOYSA-N
MW5084.57 g/mol
LogP103.31
Rot. Bonds44

About 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (PubChem CID 167535541) has the molecular formula C366H280F2N20O2Si2 and a molecular weight of 5084.57 g/mol. Its IUPAC name is 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

Molecular Properties

Compound Name8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
PubChem CID167535541
Molecular FormulaC366H280F2N20O2Si2
Molecular Weight5084.57 g/mol
Exact Mass5080.19
IUPAC Name8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5cccc6c7c(-c8ccccc8)c8c(c(-c9ccccc9)c7n(c4c3)c56)c3cccc4c5ccc(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc5n8c43)cccc12.Cc1cc(N(c2cc(C)c(C(C)C)c(C)c2)c2ccc3c4cccc5c6cc7c(cc6n(c3c2)c45)c2cccc3c4ccc(N(c5cc(C)c(C(C)C)c(C)c5)c5cc(C)c(C(C)C)c(C)c5)cc4n7c32)cc(C)c1C(C)C.Cc1ccc(N(c2ccccc2)c2ccc3c4cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n(c3c2)c45)c2cccc3c4ccc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)cc4n7c32)cc1.Cc1cccc(N(c2ccccc2)c2ccc3c4cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n(c3c2)c45)c2cccc3c4ccc(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cc4n7c32)c1.Fc1ccccc1N(c1ccccc1)c1ccc2c3cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4)c4ccccc4F)cc3n6c21
InChIInChI=1S/C86H62N4O2.C74H74N4.2C70H52N4Si.C66H40F2N4/c1-85(2,3)67-41-21-35-61-63-37-23-43-69(83(63)91-81(61)67)87(53-29-15-9-16-30-53)55-45-47-57-59-33-19-39-65-75-74(52-27-13-8-14-28-52)80-76(73(51-25-11-7-12-26-51)79(75)89(77(59)65)71(57)49-55)66-40-20-34-60-58-48-46-56(50-72(58)90(80)78(60)66)88(54-31-17-10-18-32-54)70-44-24-38-64-62-36-22-42-68(86(4,5)6)82(62)92-84(64)70;1-39(2)69-43(9)27-53(28-44(69)10)75(54-29-45(11)70(40(3)4)46(12)30-54)51-23-25-57-59-19-17-21-61-63-38-68-64(37-67(63)77(73(59)61)65(57)35-51)62-22-18-20-60-58-26-24-52(36-66(58)78(68)74(60)62)76(55-31-47(13)71(41(5)6)48(14)32-55)56-33-49(15)72(42(7)8)50(16)34-56;1-45-21-17-30-50(41-45)71(48-26-13-7-14-27-48)52-37-39-55-57-33-19-35-59-65-64(47-24-11-6-12-25-47)70-66(63(46-22-9-5-10-23-46)69(65)73(67(57)59)61(55)43-52)60-36-20-34-58-56-40-38-53(44-62(56)74(70)68(58)60)72(49-28-15-8-16-29-49)51-31-18-32-54(42-51)75(2,3)4;1-45-31-33-50(34-32-45)71(48-23-13-7-14-24-48)52-37-41-55-57-27-17-29-59-65-64(47-21-11-6-12-22-47)70-66(63(46-19-9-5-10-20-46)69(65)73(67(57)59)61(55)43-52)60-30-18-28-58-56-42-38-53(44-62(56)74(70)68(58)60)72(49-25-15-8-16-26-49)51-35-39-54(40-36-51)75(2,3)4;67-53-31-13-15-33-55(53)69(43-23-9-3-10-24-43)45-35-37-47-50-28-18-30-52-62-60(42-21-7-2-8-22-42)66-61(59(41-19-5-1-6-20-41)65(62)71(64(50)52)57(47)39-45)51-29-17-27-49-48-38-36-46(40-58(48)72(66)63(49)51)70(44-25-11-4-12-26-44)56-34-16-14-32-54(56)68/h7-50H,1-6H3;17-42H,1-16H3;2*5-44H,1-4H3;1-40H
InChIKeyAMYAPEDMQIULQW-UHFFFAOYSA-N
XLogP103.31
TPSA102.78 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds44
Heavy Atoms392
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005084.57
LogP ≤ 5103.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?
The IUPAC name of 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (CID 167535541) is 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.
What is the SMILES notation for 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?
The canonical SMILES for 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5cccc6c7c(-c8ccccc8)c8c(c(-c9ccccc9)c7n(c4c3)c56)c3cccc4c5ccc(N(c6ccccc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc5n8c43)cccc12.Cc1cc(N(c2cc(C)c(C(C)C)c(C)c2)c2ccc3c4cccc5c6cc7c(cc6n(c3c2)c45)c2cccc3c4ccc(N(c5cc(C)c(C(C)C)c(C)c5)c5cc(C)c(C(C)C)c(C)c5)cc4n7c32)cc(C)c1C(C)C.Cc1ccc(N(c2ccccc2)c2ccc3c4cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n(c3c2)c45)c2cccc3c4ccc(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)cc4n7c32)cc1.Cc1cccc(N(c2ccccc2)c2ccc3c4cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n(c3c2)c45)c2cccc3c4ccc(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)cc4n7c32)c1.Fc1ccccc1N(c1ccccc1)c1ccc2c3cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4)c4ccccc4F)cc3n6c21.
What is the InChIKey of 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?
The InChIKey is AMYAPEDMQIULQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H62N4O2.C74H74N4.2C70H52N4Si.C66H40F2N4/c1-85(2,3)67-41-21-35-61-63-37-23-43-69(83(63)91-81(61)67)87(53-29-15-9-16-30-53)55-45-47-57-59-33-19-39-65-75-74(52-27-13-8-14-28-52)80-76(73(51-25-11-7-12-26-51)79(75)89(77(59)65)71(57)49-55)66-40-20-34-60-58-48-46-56(50-72(58)90(80)78(60)66)88(54-31-17-10-18-32-54)70-44-24-38-64-62-36-22-42-68(86(4,5)6)82(62)92-84(64)70;1-39(2)69-43(9)27-53(28-44(69)10)75(54-29-45(11)70(40(3)4)46(12)30-54)51-23-25-57-59-19-17-21-61-63-38-68-64(37-67(63)77(73(59)61)65(57)35-51)62-22-18-20-60-58-26-24-52(36-66(58)78(68)74(60)62)76(55-31-47(13)71(41(5)6)48(14)32-55)56-33-49(15)72(42(7)8)50(16)34-56;1-45-21-17-30-50(41-45)71(48-26-13-7-14-27-48)52-37-39-55-57-33-19-35-59-65-64(47-24-11-6-12-25-47)70-66(63(46-22-9-5-10-23-46)69(65)73(67(57)59)61(55)43-52)60-36-20-34-58-56-40-38-53(44-62(56)74(70)68(58)60)72(49-28-15-8-16-29-49)51-31-18-32-54(42-51)75(2,3)4;1-45-31-33-50(34-32-45)71(48-23-13-7-14-24-48)52-37-41-55-57-27-17-29-59-65-64(47-21-11-6-12-22-47)70-66(63(46-19-9-5-10-20-46)69(65)73(67(57)59)61(55)43-52)60-30-18-28-58-56-42-38-53(44-62(56)74(70)68(58)60)72(49-25-15-8-16-26-49)51-35-39-54(40-36-51)75(2,3)4;67-53-31-13-15-33-55(53)69(43-23-9-3-10-24-43)45-35-37-47-50-28-18-30-52-62-60(42-21-7-2-8-22-42)66-61(59(41-19-5-1-6-20-41)65(62)71(64(50)52)57(47)39-45)51-29-17-27-49-48-38-36-46(40-58(48)72(66)63(49)51)70(44-25-11-4-12-26-44)56-34-16-14-32-54(56)68/h7-50H,1-6H3;17-42H,1-16H3;2*5-44H,1-4H3;1-40H.
What are the key properties of 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?
8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine has a molecular weight of 5084.57 g/mol, XLogP of 103.31, 44 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(2-fluorophenyl)-8-N,23-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(3-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(3-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;23-N-(4-methylphenyl)-8-N,23-N,3,18-tetraphenyl-8-N-(4-trimethylsilylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(3,5-dimethyl-4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is sourced from PubChem (CID 167535541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).