2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

C372H324N10O10 — CID 162037726

About 2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (PubChem CID 162037726) has the molecular formula C372H324N10O10 and a molecular weight of 5094.74 g/mol. Its IUPAC name is 2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
• PubChem CID: 162037726
• Molecular Formula: C372H324N10O10
• Molecular Weight: 5094.74 g/mol
• Exact Mass: 5090.52
• IUPAC Name: 2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
• SMILES: CC(C)c1ccc(-c2ccccc2)c(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C(C)(C)C)c3c(oc5cc6cc(N(c7ccccc7)c7cc(C(C)C)ccc7-c7ccccc7)ccc6cc53)c(C(C)(C)C)c24)c1.Cc1ccc(-c2ccccc2)cc1N(c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(oc4cc5cc(N(c6cc(-c7ccccc7)ccc6C)c6c(C)cccc6C)ccc5cc42)c(C(C)(C)C)c13)c1c(C)cccc1C.Cc1ccc(-c2ccccc2)cc1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(oc4cc5cc(N(c6ccccc6)c6cc(-c7ccccc7)ccc6C)ccc5cc42)c(C(C)(C)C)c13.Cc1cccc(C)c1N(c1cccc(-c2ccccc2)c1)c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(oc4cc5cc(N(c6cccc(-c7ccccc7)c6)c6c(C)cccc6C)ccc5cc42)c(C(C)(C)C)c13.Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(oc4cc5cc(N(c6ccccc6C)c6cc(-c7ccccc7)ccc6C)ccc5cc42)c(C(C)(C)C)c13)c1cc(-c2ccccc2)ccc1C
• InChI: InChI=1S/2C76H68N2O2.2C74H64N2O2.C72H60N2O2/c1-45-29-31-55(51-25-15-13-16-26-51)41-63(45)77(71-47(3)21-19-22-48(71)4)59-35-33-53-39-61-65(43-57(53)37-59)79-73-67(61)69(75(7,8)9)74-68(70(73)76(10,11)12)62-40-54-34-36-60(38-58(54)44-66(62)80-74)78(72-49(5)23-20-24-50(72)6)64-42-56(32-30-46(64)2)52-27-17-14-18-28-52;1-47(2)51-33-37-61(49-23-15-11-16-24-49)65(43-51)77(57-27-19-13-20-28-57)59-35-31-53-41-63-67(45-55(53)39-59)79-73-69(63)71(75(5,6)7)74-70(72(73)76(8,9)10)64-42-54-32-36-60(40-56(54)46-68(64)80-74)78(58-29-21-14-22-30-58)66-44-52(48(3)4)34-38-62(66)50-25-17-12-18-26-50;1-45-21-17-22-46(2)69(45)75(57-31-19-29-51(37-57)49-25-13-11-14-26-49)59-35-33-53-41-61-63(43-55(53)39-59)77-71-65(61)67(73(5,6)7)72-66(68(71)74(8,9)10)62-42-54-34-36-60(40-56(54)44-64(62)78-72)76(70-47(3)23-18-24-48(70)4)58-32-20-30-52(38-58)50-27-15-12-16-28-50;1-45-21-17-19-27-61(45)75(63-41-53(31-29-47(63)3)49-23-13-11-14-24-49)57-35-33-51-39-59-65(43-55(51)37-57)77-71-67(59)69(73(5,6)7)72-68(70(71)74(8,9)10)60-40-52-34-36-58(38-56(52)44-66(60)78-72)76(62-28-20-18-22-46(62)2)64-42-54(32-30-48(64)4)50-25-15-12-16-26-50;1-45-29-31-51(47-21-13-9-14-22-47)41-61(45)73(55-25-17-11-18-26-55)57-35-33-49-39-59-63(43-53(49)37-57)75-69-65(59)67(71(3,4)5)70-66(68(69)72(6,7)8)60-40-50-34-36-58(38-54(50)44-64(60)76-70)74(56-27-19-12-20-28-56)62-42-52(32-30-46(62)2)48-23-15-10-16-24-48/h13-44H,1-12H3;11-48H,1-10H3;2*11-44H,1-10H3;9-44H,1-8H3
• InChIKey: YWWFYHKRTPMJLR-UHFFFAOYSA-N
• XLogP: 110.48
• TPSA: 163.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 42
• Heavy Atoms: 392
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5094.74
LogP ≤ 5	110.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The IUPAC name of 2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (CID 162037726) is 2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

What is the SMILES notation for 2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The canonical SMILES for 2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is CC(C)c1ccc(-c2ccccc2)c(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C(C)(C)C)c3c(oc5cc6cc(N(c7ccccc7)c7cc(C(C)C)ccc7-c7ccccc7)ccc6cc53)c(C(C)(C)C)c24)c1.Cc1ccc(-c2ccccc2)cc1N(c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(oc4cc5cc(N(c6cc(-c7ccccc7)ccc6C)c6c(C)cccc6C)ccc5cc42)c(C(C)(C)C)c13)c1c(C)cccc1C.Cc1ccc(-c2ccccc2)cc1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(oc4cc5cc(N(c6ccccc6)c6cc(-c7ccccc7)ccc6C)ccc5cc42)c(C(C)(C)C)c13.Cc1cccc(C)c1N(c1cccc(-c2ccccc2)c1)c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(oc4cc5cc(N(c6cccc(-c7ccccc7)c6)c6c(C)cccc6C)ccc5cc42)c(C(C)(C)C)c13.Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(oc4cc5cc(N(c6ccccc6C)c6cc(-c7ccccc7)ccc6C)ccc5cc42)c(C(C)(C)C)c13)c1cc(-c2ccccc2)ccc1C.

What is the InChIKey of 2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The InChIKey is YWWFYHKRTPMJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C76H68N2O2.2C74H64N2O2.C72H60N2O2/c1-45-29-31-55(51-25-15-13-16-26-51)41-63(45)77(71-47(3)21-19-22-48(71)4)59-35-33-53-39-61-65(43-57(53)37-59)79-73-67(61)69(75(7,8)9)74-68(70(73)76(10,11)12)62-40-54-34-36-60(38-58(54)44-66(62)80-74)78(72-49(5)23-20-24-50(72)6)64-42-56(32-30-46(64)2)52-27-17-14-18-28-52;1-47(2)51-33-37-61(49-23-15-11-16-24-49)65(43-51)77(57-27-19-13-20-28-57)59-35-31-53-41-63-67(45-55(53)39-59)79-73-69(63)71(75(5,6)7)74-70(72(73)76(8,9)10)64-42-54-32-36-60(40-56(54)46-68(64)80-74)78(58-29-21-14-22-30-58)66-44-52(48(3)4)34-38-62(66)50-25-17-12-18-26-50;1-45-21-17-22-46(2)69(45)75(57-31-19-29-51(37-57)49-25-13-11-14-26-49)59-35-33-53-41-61-63(43-55(53)39-59)77-71-65(61)67(73(5,6)7)72-66(68(71)74(8,9)10)62-42-54-34-36-60(40-56(54)44-64(62)78-72)76(70-47(3)23-18-24-48(70)4)58-32-20-30-52(38-58)50-27-15-12-16-28-50;1-45-21-17-19-27-61(45)75(63-41-53(31-29-47(63)3)49-23-13-11-14-24-49)57-35-33-51-39-59-65(43-55(51)37-57)77-71-67(59)69(73(5,6)7)72-68(70(71)74(8,9)10)60-40-52-34-36-58(38-56(52)44-66(60)78-72)76(62-28-20-18-22-46(62)2)64-42-54(32-30-48(64)4)50-25-15-12-16-26-50;1-45-29-31-51(47-21-13-9-14-22-47)41-61(45)73(55-25-17-11-18-26-55)57-35-33-49-39-59-63(43-53(49)37-57)75-69-65(59)67(71(3,4)5)70-66(68(69)72(6,7)8)60-40-50-34-36-58(38-54(50)44-64(60)76-70)74(56-27-19-12-20-28-56)62-42-52(32-30-46(62)2)48-23-15-10-16-24-48/h13-44H,1-12H3;11-48H,1-10H3;2*11-44H,1-10H3;9-44H,1-8H3.

What are the key properties of 2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine has a molecular weight of 5094.74 g/mol, XLogP of 110.48, 42 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(2-methyl-5-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-bis(2-methyl-5-phenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;2,16-ditert-butyl-9-N,23-N-diphenyl-9-N,23-N-bis(2-phenyl-5-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is sourced from PubChem (CID 162037726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).