9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

C228H184N8O8 — CID 159005093

IUPAC9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
SMILESCCc1ccc(N(c2ccc(CC)cc2)c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccc(CC)cc7)c7ccc(CC)cc7)ccc6cc5c3c(C)c24)cc1.CCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccccc7)c7ccc(CC)cc7)ccc6cc5c3c(C)c24)cc1.Cc1c2c(cc3oc4cc5cc(N(c6ccccc6)c6ccc(C(C)(C)C)cc6)ccc5cc4c13)oc1cc3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)ccc3cc12.Cc1cccc(N(c2cccc(C)c2)c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7cccc(C)c7)c7cccc(C)c7)ccc6cc5c3c(C)c24)c1
InChIInChI=1S/2C59H50N2O2.2C55H42N2O2/c1-37-56-50-32-38-18-24-48(60(44-14-10-8-11-15-44)46-26-20-42(21-27-46)58(2,3)4)30-40(38)34-52(50)62-54(56)36-55-57(37)51-33-39-19-25-49(31-41(39)35-53(51)63-55)61(45-16-12-9-13-17-45)47-28-22-43(23-29-47)59(5,6)7;1-6-38-10-20-46(21-11-38)60(47-22-12-39(7-2)13-23-47)50-28-18-42-32-52-54(34-44(42)30-50)62-56-36-57-59(37(5)58(52)56)53-33-43-19-29-51(31-45(43)35-55(53)63-57)61(48-24-14-40(8-3)15-25-48)49-26-16-41(9-4)17-27-49;1-33-10-6-14-42(22-33)56(43-15-7-11-34(2)23-43)46-20-18-38-28-48-50(30-40(38)26-46)58-52-32-53-55(37(5)54(48)52)49-29-39-19-21-47(27-41(39)31-51(49)59-53)57(44-16-8-12-35(3)24-44)45-17-9-13-36(4)25-45;1-4-36-16-22-44(23-17-36)56(42-12-8-6-9-13-42)46-26-20-38-30-48-50(32-40(38)28-46)58-52-34-53-55(35(3)54(48)52)49-31-39-21-27-47(29-41(39)33-51(49)59-53)57(43-14-10-7-11-15-43)45-24-18-37(5-2)19-25-45/h8-36H,1-7H3;10-36H,6-9H2,1-5H3;6-32H,1-5H3;6-34H,4-5H2,1-3H3
InChIKeyJRUZRKJXDBRHDM-UHFFFAOYSA-N
MW3164.03 g/mol
LogP67.36
Rot. Bonds30

About 9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine

9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (PubChem CID 159005093) has the molecular formula C228H184N8O8 and a molecular weight of 3164.03 g/mol. Its IUPAC name is 9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.

Molecular Properties

Compound Name9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
PubChem CID159005093
Molecular FormulaC228H184N8O8
Molecular Weight3164.03 g/mol
Exact Mass3161.42
IUPAC Name9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
SMILESCCc1ccc(N(c2ccc(CC)cc2)c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccc(CC)cc7)c7ccc(CC)cc7)ccc6cc5c3c(C)c24)cc1.CCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccccc7)c7ccc(CC)cc7)ccc6cc5c3c(C)c24)cc1.Cc1c2c(cc3oc4cc5cc(N(c6ccccc6)c6ccc(C(C)(C)C)cc6)ccc5cc4c13)oc1cc3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)ccc3cc12.Cc1cccc(N(c2cccc(C)c2)c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7cccc(C)c7)c7cccc(C)c7)ccc6cc5c3c(C)c24)c1
InChIInChI=1S/2C59H50N2O2.2C55H42N2O2/c1-37-56-50-32-38-18-24-48(60(44-14-10-8-11-15-44)46-26-20-42(21-27-46)58(2,3)4)30-40(38)34-52(50)62-54(56)36-55-57(37)51-33-39-19-25-49(31-41(39)35-53(51)63-55)61(45-16-12-9-13-17-45)47-28-22-43(23-29-47)59(5,6)7;1-6-38-10-20-46(21-11-38)60(47-22-12-39(7-2)13-23-47)50-28-18-42-32-52-54(34-44(42)30-50)62-56-36-57-59(37(5)58(52)56)53-33-43-19-29-51(31-45(43)35-55(53)63-57)61(48-24-14-40(8-3)15-25-48)49-26-16-41(9-4)17-27-49;1-33-10-6-14-42(22-33)56(43-15-7-11-34(2)23-43)46-20-18-38-28-48-50(30-40(38)26-46)58-52-32-53-55(37(5)54(48)52)49-29-39-19-21-47(27-41(39)31-51(49)59-53)57(44-16-8-12-35(3)24-44)45-17-9-13-36(4)25-45;1-4-36-16-22-44(23-17-36)56(42-12-8-6-9-13-42)46-26-20-38-30-48-50(32-40(38)28-46)58-52-34-53-55(35(3)54(48)52)49-31-39-21-27-47(29-41(39)33-51(49)59-53)57(43-14-10-7-11-15-43)45-24-18-37(5-2)19-25-45/h8-36H,1-7H3;10-36H,6-9H2,1-5H3;6-32H,1-5H3;6-34H,4-5H2,1-3H3
InChIKeyJRUZRKJXDBRHDM-UHFFFAOYSA-N
XLogP67.36
TPSA131.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms244
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003164.03
LogP ≤ 567.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The IUPAC name of 9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine (CID 159005093) is 9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine.
What is the SMILES notation for 9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The canonical SMILES for 9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is CCc1ccc(N(c2ccc(CC)cc2)c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccc(CC)cc7)c7ccc(CC)cc7)ccc6cc5c3c(C)c24)cc1.CCc1ccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7ccccc7)c7ccc(CC)cc7)ccc6cc5c3c(C)c24)cc1.Cc1c2c(cc3oc4cc5cc(N(c6ccccc6)c6ccc(C(C)(C)C)cc6)ccc5cc4c13)oc1cc3cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)ccc3cc12.Cc1cccc(N(c2cccc(C)c2)c2ccc3cc4c(cc3c2)oc2cc3oc5cc6cc(N(c7cccc(C)c7)c7cccc(C)c7)ccc6cc5c3c(C)c24)c1.
What is the InChIKey of 9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
The InChIKey is JRUZRKJXDBRHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H50N2O2.2C55H42N2O2/c1-37-56-50-32-38-18-24-48(60(44-14-10-8-11-15-44)46-26-20-42(21-27-46)58(2,3)4)30-40(38)34-52(50)62-54(56)36-55-57(37)51-33-39-19-25-49(31-41(39)35-53(51)63-55)61(45-16-12-9-13-17-45)47-28-22-43(23-29-47)59(5,6)7;1-6-38-10-20-46(21-11-38)60(47-22-12-39(7-2)13-23-47)50-28-18-42-32-52-54(34-44(42)30-50)62-56-36-57-59(37(5)58(52)56)53-33-43-19-29-51(31-45(43)35-55(53)63-57)61(48-24-14-40(8-3)15-25-48)49-26-16-41(9-4)17-27-49;1-33-10-6-14-42(22-33)56(43-15-7-11-34(2)23-43)46-20-18-38-28-48-50(30-40(38)26-46)58-52-32-53-55(37(5)54(48)52)49-29-39-19-21-47(27-41(39)31-51(49)59-53)57(44-16-8-12-35(3)24-44)45-17-9-13-36(4)25-45;1-4-36-16-22-44(23-17-36)56(42-12-8-6-9-13-42)46-26-20-38-30-48-50(32-40(38)28-46)58-52-34-53-55(35(3)54(48)52)49-31-39-21-27-47(29-41(39)33-51(49)59-53)57(43-14-10-7-11-15-43)45-24-18-37(5-2)19-25-45/h8-36H,1-7H3;10-36H,6-9H2,1-5H3;6-32H,1-5H3;6-34H,4-5H2,1-3H3.
What are the key properties of 9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine?
9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine has a molecular weight of 3164.03 g/mol, XLogP of 67.36, 30 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,23-N-bis(4-tert-butylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,23-N-bis(4-ethylphenyl)-2-methyl-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;2-methyl-9-N,9-N,23-N,23-N-tetrakis(3-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine;9-N,9-N,23-N,23-N-tetrakis(4-ethylphenyl)-2-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine is sourced from PubChem (CID 159005093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).