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

C288H240N8O8 — CID 160664510

IUPAC8-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
SMILESCCCCOc1ccc(N(c2ccc(CC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OCCCC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCCOc1ccc(N(c2ccc(CC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OCCC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCOc1ccc(N(c2ccc(CC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OCC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCc1ccc(N(c2ccc(OC(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OC(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1
InChIInChI=1S/C74H64N2O2.2C72H60N2O2.C70H56N2O2/c1-5-9-47-77-57-39-35-55(36-40-57)75(53-31-27-49(7-3)28-32-53)65-45-43-63-69-59(65)23-17-25-61(69)71-67(51-19-13-11-14-20-51)72-62-26-18-24-60-66(46-44-64(70(60)62)74(72)68(73(63)71)52-21-15-12-16-22-52)76(54-33-29-50(8-4)30-34-54)56-37-41-58(42-38-56)78-48-10-6-2;1-7-47-25-29-51(30-26-47)73(53-33-37-55(38-34-53)75-45(3)4)63-43-41-61-67-57(63)21-15-23-59(67)69-65(49-17-11-9-12-18-49)70-60-24-16-22-58-64(44-42-62(68(58)60)72(70)66(71(61)69)50-19-13-10-14-20-50)74(52-31-27-48(8-2)28-32-52)54-35-39-56(40-36-54)76-46(5)6;1-5-45-75-55-37-33-53(34-38-55)73(51-29-25-47(7-3)26-30-51)63-43-41-61-67-57(63)21-15-23-59(67)69-65(49-17-11-9-12-18-49)70-60-24-16-22-58-64(44-42-62(68(58)60)72(70)66(71(61)69)50-19-13-10-14-20-50)74(52-31-27-48(8-4)28-32-52)54-35-39-56(40-36-54)76-46-6-2;1-5-45-25-29-49(30-26-45)71(51-33-37-53(38-34-51)73-7-3)61-43-41-59-65-55(61)21-15-23-57(65)67-63(47-17-11-9-12-18-47)68-58-24-16-22-56-62(44-42-60(66(56)58)70(68)64(69(59)67)48-19-13-10-14-20-48)72(50-31-27-46(6-2)28-32-50)52-35-39-54(40-36-52)74-8-4/h11-46H,5-10,47-48H2,1-4H3;9-46H,7-8H2,1-6H3;9-44H,5-8,45-46H2,1-4H3;9-44H,5-8H2,1-4H3
InChIKeyRMCNEAITAZPXIK-UHFFFAOYSA-N
MW3941.14 g/mol
LogP81.83
Rot. Bonds62

About 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

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 (PubChem CID 160664510) has the molecular formula C288H240N8O8 and a molecular weight of 3941.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID160664510
Molecular FormulaC288H240N8O8
Molecular Weight3941.14 g/mol
Exact Mass3937.86
IUPAC Name8-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
SMILESCCCCOc1ccc(N(c2ccc(CC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OCCCC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCCOc1ccc(N(c2ccc(CC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OCCC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCOc1ccc(N(c2ccc(CC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OCC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCc1ccc(N(c2ccc(OC(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OC(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1
InChIInChI=1S/C74H64N2O2.2C72H60N2O2.C70H56N2O2/c1-5-9-47-77-57-39-35-55(36-40-57)75(53-31-27-49(7-3)28-32-53)65-45-43-63-69-59(65)23-17-25-61(69)71-67(51-19-13-11-14-20-51)72-62-26-18-24-60-66(46-44-64(70(60)62)74(72)68(73(63)71)52-21-15-12-16-22-52)76(54-33-29-50(8-4)30-34-54)56-37-41-58(42-38-56)78-48-10-6-2;1-7-47-25-29-51(30-26-47)73(53-33-37-55(38-34-53)75-45(3)4)63-43-41-61-67-57(63)21-15-23-59(67)69-65(49-17-11-9-12-18-49)70-60-24-16-22-58-64(44-42-62(68(58)60)72(70)66(71(61)69)50-19-13-10-14-20-50)74(52-31-27-48(8-2)28-32-52)54-35-39-56(40-36-54)76-46(5)6;1-5-45-75-55-37-33-53(34-38-55)73(51-29-25-47(7-3)26-30-51)63-43-41-61-67-57(63)21-15-23-59(67)69-65(49-17-11-9-12-18-49)70-60-24-16-22-58-64(44-42-62(68(58)60)72(70)66(71(61)69)50-19-13-10-14-20-50)74(52-31-27-48(8-4)28-32-52)54-35-39-56(40-36-54)76-46-6-2;1-5-45-25-29-49(30-26-45)71(51-33-37-53(38-34-51)73-7-3)61-43-41-59-65-55(61)21-15-23-57(65)67-63(47-17-11-9-12-18-47)68-58-24-16-22-56-62(44-42-60(66(56)58)70(68)64(69(59)67)48-19-13-10-14-20-48)72(50-31-27-46(6-2)28-32-50)52-35-39-54(40-36-52)74-8-4/h11-46H,5-10,47-48H2,1-4H3;9-46H,7-8H2,1-6H3;9-44H,5-8,45-46H2,1-4H3;9-44H,5-8H2,1-4H3
InChIKeyRMCNEAITAZPXIK-UHFFFAOYSA-N
XLogP81.83
TPSA99.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds62
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003941.14
LogP ≤ 581.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 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,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-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
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
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-(4-butan-2-yloxyphenyl)-8-N,20-N-bis(4-methylphenyl)-20-N,3,15-triphenylheptacyclo[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 58890404
8-N-(4-butan-2-yloxyphenyl)-8-N,20-N-bis(4-butan-2-ylphenyl)-20-N,3,15-triphenylheptacyclo[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 58890522
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
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
butane;8-N-(4-butan-2-yloxyphenyl)-22-N-phenyl-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;osmium(2+)
CID 58890462
[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,22-N-bis(4-methylphenyl)-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 58890344

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCOc1ccc(N(c2ccc(CC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OCCCC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCCOc1ccc(N(c2ccc(CC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OCCC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCOc1ccc(N(c2ccc(CC)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OCC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.CCc1ccc(N(c2ccc(OC(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(CC)cc7)c7ccc(OC(C)C)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.
What is the InChIKey of 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?
The InChIKey is RMCNEAITAZPXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H64N2O2.2C72H60N2O2.C70H56N2O2/c1-5-9-47-77-57-39-35-55(36-40-57)75(53-31-27-49(7-3)28-32-53)65-45-43-63-69-59(65)23-17-25-61(69)71-67(51-19-13-11-14-20-51)72-62-26-18-24-60-66(46-44-64(70(60)62)74(72)68(73(63)71)52-21-15-12-16-22-52)76(54-33-29-50(8-4)30-34-54)56-37-41-58(42-38-56)78-48-10-6-2;1-7-47-25-29-51(30-26-47)73(53-33-37-55(38-34-53)75-45(3)4)63-43-41-61-67-57(63)21-15-23-59(67)69-65(49-17-11-9-12-18-49)70-60-24-16-22-58-64(44-42-62(68(58)60)72(70)66(71(61)69)50-19-13-10-14-20-50)74(52-31-27-48(8-2)28-32-52)54-35-39-56(40-36-54)76-46(5)6;1-5-45-75-55-37-33-53(34-38-55)73(51-29-25-47(7-3)26-30-51)63-43-41-61-67-57(63)21-15-23-59(67)69-65(49-17-11-9-12-18-49)70-60-24-16-22-58-64(44-42-62(68(58)60)72(70)66(71(61)69)50-19-13-10-14-20-50)74(52-31-27-48(8-4)28-32-52)54-35-39-56(40-36-54)76-46-6-2;1-5-45-25-29-49(30-26-45)71(51-33-37-53(38-34-51)73-7-3)61-43-41-59-65-55(61)21-15-23-57(65)67-63(47-17-11-9-12-18-47)68-58-24-16-22-56-62(44-42-60(66(56)58)70(68)64(69(59)67)48-19-13-10-14-20-48)72(50-31-27-46(6-2)28-32-50)52-35-39-54(40-36-52)74-8-4/h11-46H,5-10,47-48H2,1-4H3;9-46H,7-8H2,1-6H3;9-44H,5-8,45-46H2,1-4H3;9-44H,5-8H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 3941.14 g/mol, XLogP of 81.83, 62 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-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 is sourced from PubChem (CID 160664510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).