2-tert-butyl-9-N,23-N-bis(2,3-dimethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2,3-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine

C344H280N12O12 — CID 162126582

About 2-tert-butyl-9-N,23-N-bis(2,3-dimethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2,3-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine

2-tert-butyl-9-N,23-N-bis(2,3-dimethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2,3-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine (PubChem CID 162126582) has the molecular formula C344H280N12O12 and a molecular weight of 4774.10 g/mol. Its IUPAC name is 2-tert-butyl-9-N,23-N-bis(2,3-dimethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2,3-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 2-tert-butyl-9-N,23-N-bis(2,3-dimethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2,3-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
• PubChem CID: 162126582
• Molecular Formula: C344H280N12O12
• Molecular Weight: 4774.10 g/mol
• Exact Mass: 4770.17
• IUPAC Name: 2-tert-butyl-9-N,23-N-bis(2,3-dimethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2,3-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
• SMILES: CC(C)(C)c1c2oc3cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc3c2cc2oc3cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc3c12.Cc1cccc(N(c2ccc3cc4c(cc3c2)oc2c(C(C)(C)C)c3c(cc24)oc2cc4cc(N(c5cccc(C)c5C)c5cccc(C)c5C)ccc4cc23)c2cccc(C)c2C)c1C.Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C(C)(C)C)c3c(cc24)oc2cc4cc(N(c5ccccc5)c5cccc(C)c5)ccc4cc23)c1.Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C(C)(C)C)c3c(cc24)oc2cc4cc(N(c5ccccc5)c5cccc(C)c5C)ccc4cc23)c1C.Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(cc13)oc1cc3cc(N(c4ccccc4C)c4ccccc4C)ccc3cc12)c1ccccc1C.Cc1ccccc1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(cc13)oc1cc3cc(N(c4ccccc4)c4ccccc4C)ccc3cc12
• InChI: InChI=1S/C62H56N2O2.2C58H48N2O2.2C56H44N2O2.C54H40N2O2/c1-35-16-12-20-52(39(35)5)63(53-21-13-17-36(2)40(53)6)47-26-24-43-30-49-50-34-58-59(60(62(9,10)11)61(50)66-56(49)32-45(43)28-47)51-31-44-25-27-48(29-46(44)33-57(51)65-58)64(54-22-14-18-37(3)41(54)7)55-23-15-19-38(4)42(55)8;1-35-16-8-12-20-48(35)59(49-21-13-9-17-36(49)2)43-26-24-39-30-45-46-34-54-55(56(58(5,6)7)57(46)62-52(45)32-41(39)28-43)47-31-40-25-27-44(29-42(40)33-53(47)61-54)60(50-22-14-10-18-37(50)3)51-23-15-11-19-38(51)4;1-35-16-14-22-50(37(35)3)59(43-18-10-8-11-19-43)45-26-24-39-30-47-48-34-54-55(56(58(5,6)7)57(48)62-52(47)32-41(39)28-45)49-31-40-25-27-46(29-42(40)33-53(49)61-54)60(44-20-12-9-13-21-44)51-23-15-17-36(2)38(51)4;1-35-16-12-14-22-48(35)57(41-18-8-6-9-19-41)43-26-24-37-30-45-46-34-52-53(54(56(3,4)5)55(46)60-50(45)32-39(37)28-43)47-31-38-25-27-44(29-40(38)33-51(47)59-52)58(42-20-10-7-11-21-42)49-23-15-13-17-36(49)2;1-35-14-12-20-43(26-35)57(41-16-8-6-9-17-41)45-24-22-37-30-47-48-34-52-53(54(56(3,4)5)55(48)60-50(47)32-39(37)28-45)49-31-38-23-25-46(29-40(38)33-51(49)59-52)58(42-18-10-7-11-19-42)44-21-13-15-36(2)27-44;1-54(2,3)52-51-47-31-36-25-27-44(56(41-20-12-6-13-21-41)42-22-14-7-15-23-42)29-38(36)33-49(47)57-50(51)34-46-45-30-35-24-26-43(28-37(35)32-48(45)58-53(46)52)55(39-16-8-4-9-17-39)40-18-10-5-11-19-40/h12-34H,1-11H3;2*8-34H,1-7H3;2*6-34H,1-5H3;4-34H,1-3H3
• InChIKey: ZICOKHSNUZYMLF-UHFFFAOYSA-N
• XLogP: 102.34
• TPSA: 196.56 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 368
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4774.10
LogP ≤ 5	102.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 2-tert-butyl-9-N,23-N-bis(2,3-dimethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2,3-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine (CID 162126582) is 2-tert-butyl-9-N,23-N-bis(2,3-dimethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2,3-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine.

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

The canonical SMILES for 2-tert-butyl-9-N,23-N-bis(2,3-dimethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2,3-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine is CC(C)(C)c1c2oc3cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc3c2cc2oc3cc4cc(N(c5ccccc5)c5ccccc5)ccc4cc3c12.Cc1cccc(N(c2ccc3cc4c(cc3c2)oc2c(C(C)(C)C)c3c(cc24)oc2cc4cc(N(c5cccc(C)c5C)c5cccc(C)c5C)ccc4cc23)c2cccc(C)c2C)c1C.Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C(C)(C)C)c3c(cc24)oc2cc4cc(N(c5ccccc5)c5cccc(C)c5)ccc4cc23)c1.Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C(C)(C)C)c3c(cc24)oc2cc4cc(N(c5ccccc5)c5cccc(C)c5C)ccc4cc23)c1C.Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(cc13)oc1cc3cc(N(c4ccccc4C)c4ccccc4C)ccc3cc12)c1ccccc1C.Cc1ccccc1N(c1ccccc1)c1ccc2cc3c(cc2c1)oc1c(C(C)(C)C)c2c(cc13)oc1cc3cc(N(c4ccccc4)c4ccccc4C)ccc3cc12.

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

The InChIKey is ZICOKHSNUZYMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56N2O2.2C58H48N2O2.2C56H44N2O2.C54H40N2O2/c1-35-16-12-20-52(39(35)5)63(53-21-13-17-36(2)40(53)6)47-26-24-43-30-49-50-34-58-59(60(62(9,10)11)61(50)66-56(49)32-45(43)28-47)51-31-44-25-27-48(29-46(44)33-57(51)65-58)64(54-22-14-18-37(3)41(54)7)55-23-15-19-38(4)42(55)8;1-35-16-8-12-20-48(35)59(49-21-13-9-17-36(49)2)43-26-24-39-30-45-46-34-54-55(56(58(5,6)7)57(46)62-52(45)32-41(39)28-43)47-31-40-25-27-44(29-42(40)33-53(47)61-54)60(50-22-14-10-18-37(50)3)51-23-15-11-19-38(51)4;1-35-16-14-22-50(37(35)3)59(43-18-10-8-11-19-43)45-26-24-39-30-47-48-34-54-55(56(58(5,6)7)57(48)62-52(47)32-41(39)28-45)49-31-40-25-27-46(29-42(40)33-53(49)61-54)60(44-20-12-9-13-21-44)51-23-15-17-36(2)38(51)4;1-35-16-12-14-22-48(35)57(41-18-8-6-9-19-41)43-26-24-37-30-45-46-34-52-53(54(56(3,4)5)55(46)60-50(45)32-39(37)28-43)47-31-38-25-27-44(29-40(38)33-51(47)59-52)58(42-20-10-7-11-21-42)49-23-15-13-17-36(49)2;1-35-14-12-20-43(26-35)57(41-16-8-6-9-17-41)45-24-22-37-30-47-48-34-52-53(54(56(3,4)5)55(48)60-50(47)32-39(37)28-45)49-31-38-23-25-46(29-40(38)33-51(49)59-52)58(42-18-10-7-11-19-42)44-21-13-15-36(2)27-44;1-54(2,3)52-51-47-31-36-25-27-44(56(41-20-12-6-13-21-41)42-22-14-7-15-23-42)29-38(36)33-49(47)57-50(51)34-46-45-30-35-24-26-43(28-37(35)32-48(45)58-53(46)52)55(39-16-8-4-9-17-39)40-18-10-5-11-19-40/h12-34H,1-11H3;2*8-34H,1-7H3;2*6-34H,1-5H3;4-34H,1-3H3.

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

2-tert-butyl-9-N,23-N-bis(2,3-dimethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2,3-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine has a molecular weight of 4774.10 g/mol, XLogP of 102.34, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-9-N,23-N-bis(2,3-dimethylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2,3-dimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine;2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine is sourced from PubChem (CID 162126582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).