14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine

C239H214N12O2 — CID 165010616

IUPAC14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine
SMILESCc1ccc(-c2ccccc2)cc1N(c1ccc2c3cc(C(C)(C)C)cc4c5cc6c(cc5n(c2c1)c34)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3n6c21)c1cccc2c1oc1ccccc12.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4cc(C(C)(C)C)cc5c6cc7c(cc6n(c3c2)c45)c2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n7c32)cc1.Cc1cccc(N(c2ccccc2)c2ccc3c4cc(C(C)(C)C)cc5c6cc7c(cc6n(c3c2)c45)c2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n7c32)c1.Cc1ccccc1N(c1ccc2c3cc(C(C)(C)C)cc4c5cc6c(cc5n(c2c1)c34)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3n6c21)c1cccc2c1oc1ccccc12
InChIInChI=1S/C67H57N3O.C61H53N3O.C56H53N3.C55H51N3/c1-38-23-24-40(39-17-12-11-13-18-39)29-57(38)68(56-21-16-20-47-46-19-14-15-22-61(46)71-64(47)56)44-26-27-45-51-31-42(66(5,6)7)33-53-50-36-59-49(37-60(50)70(62(51)53)58(45)35-44)54-34-43(67(8,9)10)32-52-48-30-41(65(2,3)4)25-28-55(48)69(59)63(52)54;1-34-16-11-13-19-49(34)62(51-20-15-18-41-40-17-12-14-21-55(40)65-58(41)51)38-23-24-39-45-27-36(60(5,6)7)29-47-44-32-53-43(33-54(44)64(56(45)47)52(39)31-38)48-30-37(61(8,9)10)28-46-42-26-35(59(2,3)4)22-25-50(42)63(53)57(46)48;1-32-12-17-37(18-13-32)57(38-19-14-33(2)15-20-38)39-21-22-40-44-25-35(55(6,7)8)27-46-43-30-50-42(31-51(43)59(52(44)46)49(40)29-39)47-28-36(56(9,10)11)26-45-41-24-34(54(3,4)5)16-23-48(41)58(50)53(45)47;1-32-15-14-18-37(23-32)56(36-16-12-11-13-17-36)38-20-21-39-43-25-34(54(5,6)7)27-45-42-30-49-41(31-50(42)58(51(43)45)48(39)29-38)46-28-35(55(8,9)10)26-44-40-24-33(53(2,3)4)19-22-47(40)57(49)52(44)46/h11-37H,1-10H3;11-33H,1-10H3;12-31H,1-11H3;11-31H,1-10H3
InChIKeyJQLKYJAOSFTENT-UHFFFAOYSA-N
MW3286.42 g/mol
LogP68.40
Rot. Bonds13

About 14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine

14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine (PubChem CID 165010616) has the molecular formula C239H214N12O2 and a molecular weight of 3286.42 g/mol. Its IUPAC name is 14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine.

Molecular Properties

Compound Name14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine
PubChem CID165010616
Molecular FormulaC239H214N12O2
Molecular Weight3286.42 g/mol
Exact Mass3283.70
IUPAC Name14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine
SMILESCc1ccc(-c2ccccc2)cc1N(c1ccc2c3cc(C(C)(C)C)cc4c5cc6c(cc5n(c2c1)c34)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3n6c21)c1cccc2c1oc1ccccc12.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4cc(C(C)(C)C)cc5c6cc7c(cc6n(c3c2)c45)c2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n7c32)cc1.Cc1cccc(N(c2ccccc2)c2ccc3c4cc(C(C)(C)C)cc5c6cc7c(cc6n(c3c2)c45)c2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n7c32)c1.Cc1ccccc1N(c1ccc2c3cc(C(C)(C)C)cc4c5cc6c(cc5n(c2c1)c34)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3n6c21)c1cccc2c1oc1ccccc12
InChIInChI=1S/C67H57N3O.C61H53N3O.C56H53N3.C55H51N3/c1-38-23-24-40(39-17-12-11-13-18-39)29-57(38)68(56-21-16-20-47-46-19-14-15-22-61(46)71-64(47)56)44-26-27-45-51-31-42(66(5,6)7)33-53-50-36-59-49(37-60(50)70(62(51)53)58(45)35-44)54-34-43(67(8,9)10)32-52-48-30-41(65(2,3)4)25-28-55(48)69(59)63(52)54;1-34-16-11-13-19-49(34)62(51-20-15-18-41-40-17-12-14-21-55(40)65-58(41)51)38-23-24-39-45-27-36(60(5,6)7)29-47-44-32-53-43(33-54(44)64(56(45)47)52(39)31-38)48-30-37(61(8,9)10)28-46-42-26-35(59(2,3)4)22-25-50(42)63(53)57(46)48;1-32-12-17-37(18-13-32)57(38-19-14-33(2)15-20-38)39-21-22-40-44-25-35(55(6,7)8)27-46-43-30-50-42(31-51(43)59(52(44)46)49(40)29-39)47-28-36(56(9,10)11)26-45-41-24-34(54(3,4)5)16-23-48(41)58(50)53(45)47;1-32-15-14-18-37(23-32)56(36-16-12-11-13-17-36)38-20-21-39-43-25-34(54(5,6)7)27-45-42-30-49-41(31-50(42)58(51(43)45)48(39)29-38)46-28-35(55(8,9)10)26-44-40-24-33(53(2,3)4)19-22-47(40)57(49)52(44)46/h11-37H,1-10H3;11-33H,1-10H3;12-31H,1-11H3;11-31H,1-10H3
InChIKeyJQLKYJAOSFTENT-UHFFFAOYSA-N
XLogP68.40
TPSA74.52 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms253
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003286.42
LogP ≤ 568.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine?
The IUPAC name of 14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine (CID 165010616) is 14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine.
What is the SMILES notation for 14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine?
The canonical SMILES for 14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine is Cc1ccc(-c2ccccc2)cc1N(c1ccc2c3cc(C(C)(C)C)cc4c5cc6c(cc5n(c2c1)c34)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3n6c21)c1cccc2c1oc1ccccc12.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c4cc(C(C)(C)C)cc5c6cc7c(cc6n(c3c2)c45)c2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n7c32)cc1.Cc1cccc(N(c2ccccc2)c2ccc3c4cc(C(C)(C)C)cc5c6cc7c(cc6n(c3c2)c45)c2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)ccc4n7c32)c1.Cc1ccccc1N(c1ccc2c3cc(C(C)(C)C)cc4c5cc6c(cc5n(c2c1)c34)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)ccc3n6c21)c1cccc2c1oc1ccccc12.
What is the InChIKey of 14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine?
The InChIKey is JQLKYJAOSFTENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H57N3O.C61H53N3O.C56H53N3.C55H51N3/c1-38-23-24-40(39-17-12-11-13-18-39)29-57(38)68(56-21-16-20-47-46-19-14-15-22-61(46)71-64(47)56)44-26-27-45-51-31-42(66(5,6)7)33-53-50-36-59-49(37-60(50)70(62(51)53)58(45)35-44)54-34-43(67(8,9)10)32-52-48-30-41(65(2,3)4)25-28-55(48)69(59)63(52)54;1-34-16-11-13-19-49(34)62(51-20-15-18-41-40-17-12-14-21-55(40)65-58(41)51)38-23-24-39-45-27-36(60(5,6)7)29-47-44-32-53-43(33-54(44)64(56(45)47)52(39)31-38)48-30-37(61(8,9)10)28-46-42-26-35(59(2,3)4)22-25-50(42)63(53)57(46)48;1-32-12-17-37(18-13-32)57(38-19-14-33(2)15-20-38)39-21-22-40-44-25-35(55(6,7)8)27-46-43-30-50-42(31-51(43)59(52(44)46)49(40)29-39)47-28-36(56(9,10)11)26-45-41-24-34(54(3,4)5)16-23-48(41)58(50)53(45)47;1-32-15-14-18-37(23-32)56(36-16-12-11-13-17-36)38-20-21-39-43-25-34(54(5,6)7)27-45-42-30-49-41(31-50(42)58(51(43)45)48(39)29-38)46-28-35(55(8,9)10)26-44-40-24-33(53(2,3)4)19-22-47(40)57(49)52(44)46/h11-37H,1-10H3;11-33H,1-10H3;12-31H,1-11H3;11-31H,1-10H3.
What are the key properties of 14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine?
14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine has a molecular weight of 3286.42 g/mol, XLogP of 68.40, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 14,24,29-tritert-butyl-N,N-bis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-dibenzofuran-4-yl-N-(2-methyl-5-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine;14,24,29-tritert-butyl-N-(3-methylphenyl)-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-amine is sourced from PubChem (CID 165010616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).