10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine

C306H200F6N12O10 — CID 159234935

IUPAC10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine
SMILESCC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c(ccc4c3oc3ccc5oc6c7ccc(N(c8ccc(C(C)C)cc8)c8ccc(C(C)C)cc8)cc7ccc6c5c34)c2)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(F)(F)F)cc2)c2cc3oc4ccc5oc6cc(N(c7ccc(C#N)cc7)c7ccc(C(F)(F)F)cc7)c7ccccc7c6c5c4c3c3ccccc23)cc1.c1ccc(N(c2c3ccccc3cc3ccccc23)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7c8ccccc8cc8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)cc1.c1ccc(N(c2ccc3ccc4ccccc4c3c2)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7ccc8ccc9ccccc9c8c7)c7ccccc7c6c5c4c3c3ccccc23)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7cccc8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)cc1
InChIInChI=1S/2C66H40N2O2.C62H56N2O2.C58H36N2O2.C54H28F6N4O2/c1-3-23-45(24-4-1)67(65-47-27-11-7-19-41(47)37-42-20-8-12-28-48(42)65)55-39-59-61(53-33-17-15-31-51(53)55)63-57(69-59)35-36-58-64(63)62-54-34-18-16-32-52(54)56(40-60(62)70-58)68(46-25-5-2-6-26-46)66-49-29-13-9-21-43(49)38-44-22-10-14-30-50(44)66;1-3-17-45(18-4-1)67(47-33-31-43-29-27-41-15-7-9-21-49(41)55(43)37-47)57-39-61-63(53-25-13-11-23-51(53)57)65-59(69-61)35-36-60-66(65)64-54-26-14-12-24-52(54)58(40-62(64)70-60)68(46-19-5-2-6-20-46)48-34-32-44-30-28-42-16-8-10-22-50(42)56(44)38-48;1-37(2)41-9-19-47(20-10-41)63(48-21-11-42(12-22-48)38(3)4)51-27-31-53-45(35-51)17-29-55-59-57(65-61(53)55)33-34-58-60(59)56-30-18-46-36-52(28-32-54(46)62(56)66-58)64(49-23-13-43(14-24-49)39(5)6)50-25-15-44(16-26-50)40(7)8;1-3-21-39(22-4-1)59(47-31-15-19-37-17-7-9-25-41(37)47)49-35-53-55(45-29-13-11-27-43(45)49)57-51(61-53)33-34-52-58(57)56-46-30-14-12-28-44(46)50(36-54(56)62-52)60(40-23-5-2-6-24-40)48-32-16-20-38-18-8-10-26-42(38)48;1-62-34-16-24-38(25-17-34)64(37-22-14-33(15-23-37)54(58,59)60)44-29-48-50(42-9-5-3-7-40(42)44)52-46(66-48)27-26-45-51(52)49-41-8-4-2-6-39(41)43(28-47(49)65-45)63(35-18-10-31(30-61)11-19-35)36-20-12-32(13-21-36)53(55,56)57/h2*1-40H;9-40H,1-8H3;1-36H;2-29H
InChIKeyKTIUXSLQEJSXIG-UHFFFAOYSA-N
MW4319.03 g/mol
LogP92.14
Rot. Bonds34

About 10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine

10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine (PubChem CID 159234935) has the molecular formula C306H200F6N12O10 and a molecular weight of 4319.03 g/mol. Its IUPAC name is 10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine.

Molecular Properties

Compound Name10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine
PubChem CID159234935
Molecular FormulaC306H200F6N12O10
Molecular Weight4319.03 g/mol
Exact Mass4315.54
IUPAC Name10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine
SMILESCC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c(ccc4c3oc3ccc5oc6c7ccc(N(c8ccc(C(C)C)cc8)c8ccc(C(C)C)cc8)cc7ccc6c5c34)c2)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(F)(F)F)cc2)c2cc3oc4ccc5oc6cc(N(c7ccc(C#N)cc7)c7ccc(C(F)(F)F)cc7)c7ccccc7c6c5c4c3c3ccccc23)cc1.c1ccc(N(c2c3ccccc3cc3ccccc23)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7c8ccccc8cc8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)cc1.c1ccc(N(c2ccc3ccc4ccccc4c3c2)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7ccc8ccc9ccccc9c8c7)c7ccccc7c6c5c4c3c3ccccc23)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7cccc8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)cc1
InChIInChI=1S/2C66H40N2O2.C62H56N2O2.C58H36N2O2.C54H28F6N4O2/c1-3-23-45(24-4-1)67(65-47-27-11-7-19-41(47)37-42-20-8-12-28-48(42)65)55-39-59-61(53-33-17-15-31-51(53)55)63-57(69-59)35-36-58-64(63)62-54-34-18-16-32-52(54)56(40-60(62)70-58)68(46-25-5-2-6-26-46)66-49-29-13-9-21-43(49)38-44-22-10-14-30-50(44)66;1-3-17-45(18-4-1)67(47-33-31-43-29-27-41-15-7-9-21-49(41)55(43)37-47)57-39-61-63(53-25-13-11-23-51(53)57)65-59(69-61)35-36-60-66(65)64-54-26-14-12-24-52(54)58(40-62(64)70-60)68(46-19-5-2-6-20-46)48-34-32-44-30-28-42-16-8-10-22-50(42)56(44)38-48;1-37(2)41-9-19-47(20-10-41)63(48-21-11-42(12-22-48)38(3)4)51-27-31-53-45(35-51)17-29-55-59-57(65-61(53)55)33-34-58-60(59)56-30-18-46-36-52(28-32-54(46)62(56)66-58)64(49-23-13-43(14-24-49)39(5)6)50-25-15-44(16-26-50)40(7)8;1-3-21-39(22-4-1)59(47-31-15-19-37-17-7-9-25-41(37)47)49-35-53-55(45-29-13-11-27-43(45)49)57-51(61-53)33-34-52-58(57)56-46-30-14-12-28-44(46)50(36-54(56)62-52)60(40-23-5-2-6-24-40)48-32-16-20-38-18-8-10-26-42(38)48;1-62-34-16-24-38(25-17-34)64(37-22-14-33(15-23-37)54(58,59)60)44-29-48-50(42-9-5-3-7-40(42)44)52-46(66-48)27-26-45-51(52)49-41-8-4-2-6-39(41)43(28-47(49)65-45)63(35-18-10-31(30-61)11-19-35)36-20-12-32(13-21-36)53(55,56)57/h2*1-40H;9-40H,1-8H3;1-36H;2-29H
InChIKeyKTIUXSLQEJSXIG-UHFFFAOYSA-N
XLogP92.14
TPSA191.95 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds34
Heavy Atoms334
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004319.03
LogP ≤ 592.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine with MolForge

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What is the IUPAC name of 10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine?
The IUPAC name of 10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine (CID 159234935) is 10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine.
What is the SMILES notation for 10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine?
The canonical SMILES for 10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine is CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c(ccc4c3oc3ccc5oc6c7ccc(N(c8ccc(C(C)C)cc8)c8ccc(C(C)C)cc8)cc7ccc6c5c34)c2)cc1.[C-]#[N+]c1ccc(N(c2ccc(C(F)(F)F)cc2)c2cc3oc4ccc5oc6cc(N(c7ccc(C#N)cc7)c7ccc(C(F)(F)F)cc7)c7ccccc7c6c5c4c3c3ccccc23)cc1.c1ccc(N(c2c3ccccc3cc3ccccc23)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7c8ccccc8cc8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)cc1.c1ccc(N(c2ccc3ccc4ccccc4c3c2)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7ccc8ccc9ccccc9c8c7)c7ccccc7c6c5c4c3c3ccccc23)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3oc4ccc5oc6cc(N(c7ccccc7)c7cccc8ccccc78)c7ccccc7c6c5c4c3c3ccccc23)cc1.
What is the InChIKey of 10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine?
The InChIKey is KTIUXSLQEJSXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H40N2O2.C62H56N2O2.C58H36N2O2.C54H28F6N4O2/c1-3-23-45(24-4-1)67(65-47-27-11-7-19-41(47)37-42-20-8-12-28-48(42)65)55-39-59-61(53-33-17-15-31-51(53)55)63-57(69-59)35-36-58-64(63)62-54-34-18-16-32-52(54)56(40-60(62)70-58)68(46-25-5-2-6-26-46)66-49-29-13-9-21-43(49)38-44-22-10-14-30-50(44)66;1-3-17-45(18-4-1)67(47-33-31-43-29-27-41-15-7-9-21-49(41)55(43)37-47)57-39-61-63(53-25-13-11-23-51(53)57)65-59(69-61)35-36-60-66(65)64-54-26-14-12-24-52(54)58(40-62(64)70-60)68(46-19-5-2-6-20-46)48-34-32-44-30-28-42-16-8-10-22-50(42)56(44)38-48;1-37(2)41-9-19-47(20-10-41)63(48-21-11-42(12-22-48)38(3)4)51-27-31-53-45(35-51)17-29-55-59-57(65-61(53)55)33-34-58-60(59)56-30-18-46-36-52(28-32-54(46)62(56)66-58)64(49-23-13-43(14-24-49)39(5)6)50-25-15-44(16-26-50)40(7)8;1-3-21-39(22-4-1)59(47-31-15-19-37-17-7-9-25-41(37)47)49-35-53-55(45-29-13-11-27-43(45)49)57-51(61-53)33-34-52-58(57)56-46-30-14-12-28-44(46)50(36-54(56)62-52)60(40-23-5-2-6-24-40)48-32-16-20-38-18-8-10-26-42(38)48;1-62-34-16-24-38(25-17-34)64(37-22-14-33(15-23-37)54(58,59)60)44-29-48-50(42-9-5-3-7-40(42)44)52-46(66-48)27-26-45-51(52)49-41-8-4-2-6-39(41)43(28-47(49)65-45)63(35-18-10-31(30-61)11-19-35)36-20-12-32(13-21-36)53(55,56)57/h2*1-40H;9-40H,1-8H3;1-36H;2-29H.
What are the key properties of 10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine?
10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine has a molecular weight of 4319.03 g/mol, XLogP of 92.14, 34 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,21-N-di(anthracen-9-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-dinaphthalen-1-yl-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;10-N,21-N-di(phenanthren-3-yl)-10-N,21-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine;4-[N-[21-[N-(4-isocyanophenyl)-4-(trifluoromethyl)anilino]-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-10-yl]-4-(trifluoromethyl)anilino]benzonitrile;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.019,28.020,25]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,19(28),20(25),21,23,26-tridecaene-8,23-diamine is sourced from PubChem (CID 159234935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).