9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine

C294H224N16 — CID 157278860

IUPAC9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4n6c32)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccccc5)c5ccc(C(C)C)cc5)ccc4n6c32)cc1.CCc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccccc5)c5ccc(CC)cc5)ccc4n6c32)cc1.c1ccc(-c2c3c4cccc5c6cc(N(c7ccccc7)c7ccc(C8CCCCC8)cc7)ccc6n(c3c(-c3ccccc3)c3c6cccc7c8cc(N(c9ccccc9)c9ccc(C%10CCCCC%10)cc9)ccc8n(c23)c76)c54)cc1
InChIInChI=1S/C78H62N4.C74H58N4.C72H54N4.C70H50N4/c1-7-21-51(22-8-1)53-37-41-59(42-38-53)79(57-29-15-5-16-30-57)61-45-47-69-67(49-61)63-33-19-35-65-73-72(56-27-13-4-14-28-56)78-74(71(55-25-11-3-12-26-55)77(73)81(69)75(63)65)66-36-20-34-64-68-50-62(46-48-70(68)82(78)76(64)66)80(58-31-17-6-18-32-58)60-43-39-54(40-44-60)52-23-9-2-10-24-52;1-73(2,3)49-33-37-53(38-34-49)75(51-25-15-9-16-26-51)55-41-43-63-61(45-55)57-29-19-31-59-67-66(48-23-13-8-14-24-48)72-68(65(47-21-11-7-12-22-47)71(67)77(63)69(57)59)60-32-20-30-58-62-46-56(42-44-64(62)78(72)70(58)60)76(52-27-17-10-18-28-52)54-39-35-50(36-40-54)74(4,5)6;1-45(2)47-31-35-53(36-32-47)73(51-23-13-7-14-24-51)55-39-41-63-61(43-55)57-27-17-29-59-67-66(50-21-11-6-12-22-50)72-68(65(49-19-9-5-10-20-49)71(67)75(63)69(57)59)60-30-18-28-58-62-44-56(40-42-64(62)76(72)70(58)60)74(52-25-15-8-16-26-52)54-37-33-48(34-38-54)46(3)4;1-3-45-31-35-51(36-32-45)71(49-23-13-7-14-24-49)53-39-41-61-59(43-53)55-27-17-29-57-65-64(48-21-11-6-12-22-48)70-66(63(47-19-9-5-10-20-47)69(65)73(61)67(55)57)58-30-18-28-56-60-44-54(40-42-62(60)74(70)68(56)58)72(50-25-15-8-16-26-50)52-37-33-46(4-2)34-38-52/h3-6,11-20,25-52H,1-2,7-10,21-24H2;7-46H,1-6H3;5-46H,1-4H3;5-44H,3-4H2,1-2H3
InChIKeyAZKRDTJYAMYUBN-UHFFFAOYSA-N
MW3981.14 g/mol
LogP83.10
Rot. Bonds38

About 9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine

9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine (PubChem CID 157278860) has the molecular formula C294H224N16 and a molecular weight of 3981.14 g/mol. Its IUPAC name is 9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine.

Molecular Properties

Compound Name9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine
PubChem CID157278860
Molecular FormulaC294H224N16
Molecular Weight3981.14 g/mol
Exact Mass3977.80
IUPAC Name9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4n6c32)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccccc5)c5ccc(C(C)C)cc5)ccc4n6c32)cc1.CCc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccccc5)c5ccc(CC)cc5)ccc4n6c32)cc1.c1ccc(-c2c3c4cccc5c6cc(N(c7ccccc7)c7ccc(C8CCCCC8)cc7)ccc6n(c3c(-c3ccccc3)c3c6cccc7c8cc(N(c9ccccc9)c9ccc(C%10CCCCC%10)cc9)ccc8n(c23)c76)c54)cc1
InChIInChI=1S/C78H62N4.C74H58N4.C72H54N4.C70H50N4/c1-7-21-51(22-8-1)53-37-41-59(42-38-53)79(57-29-15-5-16-30-57)61-45-47-69-67(49-61)63-33-19-35-65-73-72(56-27-13-4-14-28-56)78-74(71(55-25-11-3-12-26-55)77(73)81(69)75(63)65)66-36-20-34-64-68-50-62(46-48-70(68)82(78)76(64)66)80(58-31-17-6-18-32-58)60-43-39-54(40-44-60)52-23-9-2-10-24-52;1-73(2,3)49-33-37-53(38-34-49)75(51-25-15-9-16-26-51)55-41-43-63-61(45-55)57-29-19-31-59-67-66(48-23-13-8-14-24-48)72-68(65(47-21-11-7-12-22-47)71(67)77(63)69(57)59)60-32-20-30-58-62-46-56(42-44-64(62)78(72)70(58)60)76(52-27-17-10-18-28-52)54-39-35-50(36-40-54)74(4,5)6;1-45(2)47-31-35-53(36-32-47)73(51-23-13-7-14-24-51)55-39-41-63-61(43-55)57-27-17-29-59-67-66(50-21-11-6-12-22-50)72-68(65(49-19-9-5-10-20-49)71(67)75(63)69(57)59)60-30-18-28-58-62-44-56(40-42-64(62)76(72)70(58)60)74(52-25-15-8-16-26-52)54-37-33-48(34-38-54)46(3)4;1-3-45-31-35-51(36-32-45)71(49-23-13-7-14-24-49)53-39-41-61-59(43-53)55-27-17-29-57-65-64(48-21-11-6-12-22-48)70-66(63(47-19-9-5-10-20-47)69(65)73(61)67(55)57)58-30-18-28-56-60-44-54(40-42-62(60)74(70)68(56)58)72(50-25-15-8-16-26-50)52-37-33-46(4-2)34-38-52/h3-6,11-20,25-52H,1-2,7-10,21-24H2;7-46H,1-6H3;5-46H,1-4H3;5-44H,3-4H2,1-2H3
InChIKeyAZKRDTJYAMYUBN-UHFFFAOYSA-N
XLogP83.10
TPSA61.20 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds38
Heavy Atoms310
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003981.14
LogP ≤ 583.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine?
The IUPAC name of 9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine (CID 157278860) is 9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine.
What is the SMILES notation for 9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine?
The canonical SMILES for 9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine is CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4n6c32)cc1.CC(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccccc5)c5ccc(C(C)C)cc5)ccc4n6c32)cc1.CCc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4cc(N(c5ccccc5)c5ccc(CC)cc5)ccc4n6c32)cc1.c1ccc(-c2c3c4cccc5c6cc(N(c7ccccc7)c7ccc(C8CCCCC8)cc7)ccc6n(c3c(-c3ccccc3)c3c6cccc7c8cc(N(c9ccccc9)c9ccc(C%10CCCCC%10)cc9)ccc8n(c23)c76)c54)cc1.
What is the InChIKey of 9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine?
The InChIKey is AZKRDTJYAMYUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H62N4.C74H58N4.C72H54N4.C70H50N4/c1-7-21-51(22-8-1)53-37-41-59(42-38-53)79(57-29-15-5-16-30-57)61-45-47-69-67(49-61)63-33-19-35-65-73-72(56-27-13-4-14-28-56)78-74(71(55-25-11-3-12-26-55)77(73)81(69)75(63)65)66-36-20-34-64-68-50-62(46-48-70(68)82(78)76(64)66)80(58-31-17-6-18-32-58)60-43-39-54(40-44-60)52-23-9-2-10-24-52;1-73(2,3)49-33-37-53(38-34-49)75(51-25-15-9-16-26-51)55-41-43-63-61(45-55)57-29-19-31-59-67-66(48-23-13-8-14-24-48)72-68(65(47-21-11-7-12-22-47)71(67)77(63)69(57)59)60-32-20-30-58-62-46-56(42-44-64(62)78(72)70(58)60)76(52-27-17-10-18-28-52)54-39-35-50(36-40-54)74(4,5)6;1-45(2)47-31-35-53(36-32-47)73(51-23-13-7-14-24-51)55-39-41-63-61(43-55)57-27-17-29-59-67-66(50-21-11-6-12-22-50)72-68(65(49-19-9-5-10-20-49)71(67)75(63)69(57)59)60-30-18-28-58-62-44-56(40-42-64(62)76(72)70(58)60)74(52-25-15-8-16-26-52)54-37-33-48(34-38-54)46(3)4;1-3-45-31-35-51(36-32-45)71(49-23-13-7-14-24-49)53-39-41-61-59(43-53)55-27-17-29-57-65-64(48-21-11-6-12-22-48)70-66(63(47-19-9-5-10-20-47)69(65)73(61)67(55)57)58-30-18-28-56-60-44-54(40-42-62(60)74(70)68(56)58)72(50-25-15-8-16-26-50)52-37-33-46(4-2)34-38-52/h3-6,11-20,25-52H,1-2,7-10,21-24H2;7-46H,1-6H3;5-46H,1-4H3;5-44H,3-4H2,1-2H3.
What are the key properties of 9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine?
9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine has a molecular weight of 3981.14 g/mol, XLogP of 83.10, 38 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-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-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(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-9,24-diamine is sourced from PubChem (CID 157278860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).