About 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine (PubChem CID 159115868) has the molecular formula C343H276N10O10
and a molecular weight of 4698.04 g/mol. Its IUPAC name is 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine.
Frequently Asked Questions
What is the IUPAC name of 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine?
The IUPAC name of 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine (CID 159115868) is 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine.
What is the SMILES notation for 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine?
The canonical SMILES for 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine is CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccc(C(C)C)cc4)c4ccc(C(C)C)cc4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc1.Cc1cc(N(c2cc(C)c(C)c(C)c2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4cc(C)c(C)c(C)c4)c4cc(C)c(C)c(C)c4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc(C)c1C.Cc1ccc(C)c(N(c2ccccc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccccc4)c4cc(C)ccc4C)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)c1.Cc1ccc(C)c(N(c2ccccc2C)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccccc4C)c4cc(C)ccc4C)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)c1.Cc1ccc(N(c2ccc(C)cc2)c2cc3c(c4oc5ccccc5c24)-c2c(cc(N(c4ccc(C)cc4)c4ccc(C)cc4)c4c2oc2ccccc24)C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine?
The InChIKey is KFBONNGGLCFQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C73H64N2O2.C67H52N2O2.2C65H48N2O2/c1-41-31-55(32-42(2)49(41)9)74(56-33-43(3)50(10)44(4)34-56)63-39-61-69(71-67(63)59-27-19-21-29-65(59)76-71)70-62(73(61,53-23-15-13-16-24-53)54-25-17-14-18-26-54)40-64(68-60-28-20-22-30-66(60)77-72(68)70)75(57-35-45(5)51(11)46(6)36-57)58-37-47(7)52(12)48(8)38-58;1-45(2)49-27-35-55(36-28-49)74(56-37-29-50(30-38-56)46(3)4)63-43-61-69(71-67(63)59-23-15-17-25-65(59)76-71)70-62(73(61,53-19-11-9-12-20-53)54-21-13-10-14-22-54)44-64(68-60-24-16-18-26-66(60)77-72(68)70)75(57-39-31-51(32-40-57)47(5)6)58-41-33-52(34-42-58)48(7)8;1-41-33-35-45(5)55(37-41)68(53-29-17-13-21-43(53)3)57-39-51-63(65-61(57)49-27-15-19-31-59(49)70-65)64-52(67(51,47-23-9-7-10-24-47)48-25-11-8-12-26-48)40-58(62-50-28-16-20-32-60(50)71-66(62)64)69(54-30-18-14-22-44(54)4)56-38-42(2)34-36-46(56)6;1-41-33-35-43(3)53(37-41)66(47-25-13-7-14-26-47)55-39-51-61(63-59(55)49-29-17-19-31-57(49)68-63)62-52(65(51,45-21-9-5-10-22-45)46-23-11-6-12-24-46)40-56(60-50-30-18-20-32-58(50)69-64(60)62)67(48-27-15-8-16-28-48)54-38-42(2)34-36-44(54)4;1-41-23-31-47(32-24-41)66(48-33-25-42(2)26-34-48)55-39-53-61(63-59(55)51-19-11-13-21-57(51)68-63)62-54(65(53,45-15-7-5-8-16-45)46-17-9-6-10-18-46)40-56(60-52-20-12-14-22-58(52)69-64(60)62)67(49-35-27-43(3)28-36-49)50-37-29-44(4)30-38-50/h13-40H,1-12H3;9-48H,1-8H3;7-40H,1-6H3;2*5-40H,1-4H3.
What are the key properties of 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine?
12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine has a molecular weight of 4698.04 g/mol, XLogP of 96.45, 44 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine is sourced from PubChem (CID 159115868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).