8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine

C292H248N8O8 — CID 162139963

IUPAC8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine
SMILESCCCOc1ccc(N(c2ccc(CCC)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(CCC)cc8)c8ccc(OCCC)cc8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCCc1ccc(N(c2ccc(OC(C)(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(CCC)cc8)c8ccc(OC(C)(C)C)cc8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCc1ccc(N(c2ccc(OC(C)(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OC(C)(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCc1ccc(N(c2ccc(OC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1
InChIInChI=1S/C76H68N2O2.2C74H64N2O2.C68H52N2O2/c1-9-19-49-29-33-53(34-30-49)77(55-37-41-57(42-38-55)79-75(3,4)5)65-47-45-63-69-59(65)25-17-27-61(69)71-67(51-21-13-11-14-22-51)74-64-46-48-66(60-26-18-28-62(70(60)64)72(74)68(73(63)71)52-23-15-12-16-24-52)78(54-35-31-50(20-10-2)32-36-54)56-39-43-58(44-40-56)80-76(6,7)8;1-9-47-27-31-51(32-28-47)75(53-35-39-55(40-36-53)77-73(3,4)5)63-45-43-61-67-57(63)23-17-25-59(67)69-65(49-19-13-11-14-20-49)70-60-26-18-24-58-64(46-44-62(68(58)60)72(70)66(71(61)69)50-21-15-12-16-22-50)76(52-33-29-48(10-2)30-34-52)54-37-41-56(42-38-54)78-74(6,7)8;1-5-17-49-27-31-53(32-28-49)75(55-35-39-57(40-36-55)77-47-7-3)65-45-43-63-69-59(65)23-15-25-61(69)71-67(51-19-11-9-12-20-51)74-64-44-46-66(60-24-16-26-62(70(60)64)72(74)68(73(63)71)52-21-13-10-14-22-52)76(54-33-29-50(18-6-2)30-34-54)56-37-41-58(42-38-56)78-48-8-4;1-5-43-23-27-47(28-24-43)69(49-31-35-51(71-3)36-32-49)59-41-39-57-63-53(59)19-13-21-55(63)65-61(45-15-9-7-10-16-45)66-56-22-14-20-54-60(42-40-58(64(54)56)68(66)62(67(57)65)46-17-11-8-12-18-46)70(48-29-25-44(6-2)26-30-48)50-33-37-52(72-4)38-34-50/h11-18,21-48H,9-10,19-20H2,1-8H3;11-46H,9-10H2,1-8H3;9-16,19-46H,5-8,17-18,47-48H2,1-4H3;7-42H,5-6H2,1-4H3
InChIKeyZJUKAUFNBQNRKM-UHFFFAOYSA-N
MW3997.24 g/mol
LogP83.38
Rot. Bonds56

About 8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine

8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine (PubChem CID 162139963) has the molecular formula C292H248N8O8 and a molecular weight of 3997.24 g/mol. Its IUPAC name is 8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine.

Molecular Properties

Compound Name8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine
PubChem CID162139963
Molecular FormulaC292H248N8O8
Molecular Weight3997.24 g/mol
Exact Mass3993.92
IUPAC Name8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine
SMILESCCCOc1ccc(N(c2ccc(CCC)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(CCC)cc8)c8ccc(OCCC)cc8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCCc1ccc(N(c2ccc(OC(C)(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(CCC)cc8)c8ccc(OC(C)(C)C)cc8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCc1ccc(N(c2ccc(OC(C)(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OC(C)(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCc1ccc(N(c2ccc(OC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1
InChIInChI=1S/C76H68N2O2.2C74H64N2O2.C68H52N2O2/c1-9-19-49-29-33-53(34-30-49)77(55-37-41-57(42-38-55)79-75(3,4)5)65-47-45-63-69-59(65)25-17-27-61(69)71-67(51-21-13-11-14-22-51)74-64-46-48-66(60-26-18-28-62(70(60)64)72(74)68(73(63)71)52-23-15-12-16-24-52)78(54-35-31-50(20-10-2)32-36-54)56-39-43-58(44-40-56)80-76(6,7)8;1-9-47-27-31-51(32-28-47)75(53-35-39-55(40-36-53)77-73(3,4)5)63-45-43-61-67-57(63)23-17-25-59(67)69-65(49-19-13-11-14-20-49)70-60-26-18-24-58-64(46-44-62(68(58)60)72(70)66(71(61)69)50-21-15-12-16-22-50)76(52-33-29-48(10-2)30-34-52)54-37-41-56(42-38-54)78-74(6,7)8;1-5-17-49-27-31-53(32-28-49)75(55-35-39-57(40-36-55)77-47-7-3)65-45-43-63-69-59(65)23-15-25-61(69)71-67(51-19-11-9-12-20-51)74-64-44-46-66(60-24-16-26-62(70(60)64)72(74)68(73(63)71)52-21-13-10-14-22-52)76(54-33-29-50(18-6-2)30-34-54)56-37-41-58(42-38-56)78-48-8-4;1-5-43-23-27-47(28-24-43)69(49-31-35-51(71-3)36-32-49)59-41-39-57-63-53(59)19-13-21-55(63)65-61(45-15-9-7-10-16-45)66-56-22-14-20-54-60(42-40-58(64(54)56)68(66)62(67(57)65)46-17-11-8-12-18-46)70(48-29-25-44(6-2)26-30-48)50-33-37-52(72-4)38-34-50/h11-18,21-48H,9-10,19-20H2,1-8H3;11-46H,9-10H2,1-8H3;9-16,19-46H,5-8,17-18,47-48H2,1-4H3;7-42H,5-6H2,1-4H3
InChIKeyZJUKAUFNBQNRKM-UHFFFAOYSA-N
XLogP83.38
TPSA99.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds56
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003997.24
LogP ≤ 583.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine with MolForge

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Related Compounds

8-N,22-N-bis(4-ethylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propoxyphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890314
8-N,22-N-bis(4-butoxyphenyl)-8-N,22-N-bis(4-ethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethoxyphenyl)-8-N,22-N-bis(4-ethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-yloxyphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propoxyphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 160664510
8-N,8-N,22-N,22-N-tetrakis(4-butoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890322
8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890363
[4-(4-methoxy-N-[22-(N-(4-methoxyphenyl)-4-methylanilino)-3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaenyl]anilino)phenyl]phosphanium
CID 142208301
8-N,8-N,22-N,22-N-tetrakis(2-methyl-4-propoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890361
8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenyl-8-N,22-N-bis(4-propan-2-ylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890448
3,15-diphenyl-8-N,8-N,22-N,22-N-tetrakis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,8-N,22-N,22-N-tetrakis(3,5-dibutylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 165105192
3-N,3-N,9-N,9-N-tetrakis(4-methoxyphenyl)perylene-3,9-diamine
CID 20710079
8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine
CID 58890508
4-(N-[3,15-bis(4-methoxyphenyl)-8-decacyclo[18.12.2.15,9.121,25.02,16.04,14.017,33.030,34.013,36.029,35]hexatriaconta-1(32),2,4(14),5(36),6,8,10,12,15,17(33),18,20(34),21,23,25(35),26,28,30-octadecaenyl]-4-cyanoanilino)benzonitrile
CID 170381152
N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine
CID 59836976

Frequently Asked Questions

What is the IUPAC name of 8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine?
The IUPAC name of 8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine (CID 162139963) is 8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine.
What is the SMILES notation for 8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine?
The canonical SMILES for 8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine is CCCOc1ccc(N(c2ccc(CCC)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(CCC)cc8)c8ccc(OCCC)cc8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCCc1ccc(N(c2ccc(OC(C)(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(CCC)cc8)c8ccc(OC(C)(C)C)cc8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCc1ccc(N(c2ccc(OC(C)(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OC(C)(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCc1ccc(N(c2ccc(OC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.
What is the InChIKey of 8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine?
The InChIKey is ZJUKAUFNBQNRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H68N2O2.2C74H64N2O2.C68H52N2O2/c1-9-19-49-29-33-53(34-30-49)77(55-37-41-57(42-38-55)79-75(3,4)5)65-47-45-63-69-59(65)25-17-27-61(69)71-67(51-21-13-11-14-22-51)74-64-46-48-66(60-26-18-28-62(70(60)64)72(74)68(73(63)71)52-23-15-12-16-24-52)78(54-35-31-50(20-10-2)32-36-54)56-39-43-58(44-40-56)80-76(6,7)8;1-9-47-27-31-51(32-28-47)75(53-35-39-55(40-36-53)77-73(3,4)5)63-45-43-61-67-57(63)23-17-25-59(67)69-65(49-19-13-11-14-20-49)70-60-26-18-24-58-64(46-44-62(68(58)60)72(70)66(71(61)69)50-21-15-12-16-22-50)76(52-33-29-48(10-2)30-34-52)54-37-41-56(42-38-54)78-74(6,7)8;1-5-17-49-27-31-53(32-28-49)75(55-35-39-57(40-36-55)77-47-7-3)65-45-43-63-69-59(65)23-15-25-61(69)71-67(51-19-11-9-12-20-51)74-64-44-46-66(60-24-16-26-62(70(60)64)72(74)68(73(63)71)52-21-13-10-14-22-52)76(54-33-29-50(18-6-2)30-34-54)56-37-41-58(42-38-56)78-48-8-4;1-5-43-23-27-47(28-24-43)69(49-31-35-51(71-3)36-32-49)59-41-39-57-63-53(59)19-13-21-55(63)65-61(45-15-9-7-10-16-45)66-56-22-14-20-54-60(42-40-58(64(54)56)68(66)62(67(57)65)46-17-11-8-12-18-46)70(48-29-25-44(6-2)26-30-48)50-33-37-52(72-4)38-34-50/h11-18,21-48H,9-10,19-20H2,1-8H3;11-46H,9-10H2,1-8H3;9-16,19-46H,5-8,17-18,47-48H2,1-4H3;7-42H,5-6H2,1-4H3.
What are the key properties of 8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine?
8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine has a molecular weight of 3997.24 g/mol, XLogP of 83.38, 56 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis(4-methoxyphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,22-N-bis(4-ethylphenyl)-8-N,22-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine;8-N,20-N-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,15-diphenyl-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;3,15-diphenyl-8-N,20-N-bis(4-propoxyphenyl)-8-N,20-N-bis(4-propylphenyl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine is sourced from PubChem (CID 162139963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).