About 6,25-dimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9,11,13,16(40),17,19,22(27),23,25,28,30,32,35(39),36-octadecaene;11-methyl-6-phenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22,24,26,28,30,32,35(39),36-octadecaene;6,11,25-trimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28,30,32,35(39),36-octadecaene;11,25,30-trimethyl-N,N-diphenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28(33),29,31,35(39),36-octadecaen-6-amine
6,25-dimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9,11,13,16(40),17,19,22(27),23,25,28,30,32,35(39),36-octadecaene;11-methyl-6-phenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22,24,26,28,30,32,35(39),36-octadecaene;6,11,25-trimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28,30,32,35(39),36-octadecaene;11,25,30-trimethyl-N,N-diphenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28(33),29,31,35(39),36-octadecaen-6-amine (PubChem CID 157290417) has the molecular formula C171H119B8N9
and a molecular weight of 2386.39 g/mol. Its IUPAC name is 6,25-dimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9,11,13,16(40),17,19,22(27),23,25,28,30,32,35(39),36-octadecaene;11-methyl-6-phenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22,24,26,28,30,32,35(39),36-octadecaene;6,11,25-trimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28,30,32,35(39),36-octadecaene;11,25,30-trimethyl-N,N-diphenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28(33),29,31,35(39),36-octadecaen-6-amine.
Frequently Asked Questions
What is the IUPAC name of 6,25-dimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9,11,13,16(40),17,19,22(27),23,25,28,30,32,35(39),36-octadecaene;11-methyl-6-phenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22,24,26,28,30,32,35(39),36-octadecaene;6,11,25-trimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28,30,32,35(39),36-octadecaene;11,25,30-trimethyl-N,N-diphenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28(33),29,31,35(39),36-octadecaen-6-amine?
The IUPAC name of 6,25-dimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9,11,13,16(40),17,19,22(27),23,25,28,30,32,35(39),36-octadecaene;11-methyl-6-phenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22,24,26,28,30,32,35(39),36-octadecaene;6,11,25-trimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28,30,32,35(39),36-octadecaene;11,25,30-trimethyl-N,N-diphenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28(33),29,31,35(39),36-octadecaen-6-amine (CID 157290417) is 6,25-dimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9,11,13,16(40),17,19,22(27),23,25,28,30,32,35(39),36-octadecaene;11-methyl-6-phenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22,24,26,28,30,32,35(39),36-octadecaene;6,11,25-trimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28,30,32,35(39),36-octadecaene;11,25,30-trimethyl-N,N-diphenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28(33),29,31,35(39),36-octadecaen-6-amine.
What is the SMILES notation for 6,25-dimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9,11,13,16(40),17,19,22(27),23,25,28,30,32,35(39),36-octadecaene;11-methyl-6-phenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22,24,26,28,30,32,35(39),36-octadecaene;6,11,25-trimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28,30,32,35(39),36-octadecaene;11,25,30-trimethyl-N,N-diphenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28(33),29,31,35(39),36-octadecaen-6-amine?
The canonical SMILES for 6,25-dimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9,11,13,16(40),17,19,22(27),23,25,28,30,32,35(39),36-octadecaene;11-methyl-6-phenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22,24,26,28,30,32,35(39),36-octadecaene;6,11,25-trimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28,30,32,35(39),36-octadecaene;11,25,30-trimethyl-N,N-diphenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28(33),29,31,35(39),36-octadecaen-6-amine is Cc1ccc2c(c1)-c1cc(-c3ccccc3)ccc1N1B2c2cccc3c2-c2c(cccc21)N1B3c2ccccc2-c2ccccc21.Cc1ccc2c(c1)-c1cc(C)ccc1N1B2c2cccc3c2-c2c1cccc2N1B3c2ccc(C)cc2-c2cc(N(c3ccccc3)c3ccccc3)ccc21.Cc1ccc2c(c1)-c1ccccc1N1B2c2cccc3c2-c2c1cccc2N1B3c2ccc(C)cc2-c2cc(C)ccc21.Cc1ccc2c(c1)-c1ccccc1N1B2c2cccc3c2-c2c1cccc2N1B3c2ccccc2-c2cc(C)ccc21.
What is the InChIKey of 6,25-dimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9,11,13,16(40),17,19,22(27),23,25,28,30,32,35(39),36-octadecaene;11-methyl-6-phenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22,24,26,28,30,32,35(39),36-octadecaene;6,11,25-trimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28,30,32,35(39),36-octadecaene;11,25,30-trimethyl-N,N-diphenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28(33),29,31,35(39),36-octadecaen-6-amine?
The InChIKey is BASUBBCCLHMBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37B2N3.C43H28B2N2.C39H28B2N2.C38H26B2N2/c1-32-20-24-42-38(28-32)40-30-34(3)22-26-46(40)55-48-18-11-19-49-51(48)50-44(52(42)55)16-10-17-45(50)53-43-25-21-33(2)29-39(43)41-31-37(23-27-47(41)56(49)53)54(35-12-6-4-7-13-35)36-14-8-5-9-15-36;1-27-21-23-35-32(25-27)33-26-29(28-11-3-2-4-12-28)22-24-39(33)47-41-20-10-19-40-43(41)42-36(16-9-17-37(42)45(35)47)44-34-15-7-5-13-30(34)31-14-6-8-18-38(31)46(40)44;1-23-14-17-30-27(20-23)26-8-4-5-11-34(26)42-36-12-7-13-37-39(36)38-32(40(30)42)9-6-10-33(38)41-31-18-15-24(2)21-28(31)29-22-25(3)16-19-35(29)43(37)41;1-23-17-19-30-27(21-23)26-10-4-6-14-33(26)41-35-15-8-16-36-38(35)37-31(12-7-13-32(37)40(30)41)39-29-11-5-3-9-25(29)28-22-24(2)18-20-34(28)42(36)39/h4-31H,1-3H3;2-26H,1H3;4-22H,1-3H3;3-22H,1-2H3.
What are the key properties of 6,25-dimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9,11,13,16(40),17,19,22(27),23,25,28,30,32,35(39),36-octadecaene;11-methyl-6-phenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22,24,26,28,30,32,35(39),36-octadecaene;6,11,25-trimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28,30,32,35(39),36-octadecaene;11,25,30-trimethyl-N,N-diphenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28(33),29,31,35(39),36-octadecaen-6-amine?
6,25-dimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9,11,13,16(40),17,19,22(27),23,25,28,30,32,35(39),36-octadecaene;11-methyl-6-phenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22,24,26,28,30,32,35(39),36-octadecaene;6,11,25-trimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28,30,32,35(39),36-octadecaene;11,25,30-trimethyl-N,N-diphenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28(33),29,31,35(39),36-octadecaen-6-amine has a molecular weight of 2386.39 g/mol, XLogP of 31.23, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,25-dimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9,11,13,16(40),17,19,22(27),23,25,28,30,32,35(39),36-octadecaene;11-methyl-6-phenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22,24,26,28,30,32,35(39),36-octadecaene;6,11,25-trimethyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28,30,32,35(39),36-octadecaene;11,25,30-trimethyl-N,N-diphenyl-2,34-diaza-15,21-diboradecacyclo[18.18.2.02,15.03,8.09,14.016,40.021,34.022,27.028,33.035,39]tetraconta-1(38),3(8),4,6,9(14),10,12,16,18,20(40),22(27),23,25,28(33),29,31,35(39),36-octadecaen-6-amine is sourced from PubChem (CID 157290417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).