About 25-tert-butyl-21-(4-tert-butylphenyl)-5,5-dimethyl-N,N,15-triphenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaen-8-amine;5,5-dimethyl-8-N,8-N,24-N,24-N,15,21-hexakis-phenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaene-8,24-diamine;28,28-dimethyl-N,N,12,18-tetraphenyl-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.022,27]dotriaconta-2(11),3,5,7,9,13(32),14,16,19,21(29),22(27),23,25,30-tetradecaen-25-amine;5,5-dimethyl-N,N,15,24-tetraphenyl-21-(3-phenylphenyl)-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16(28),17,19,22(27),23,25-dodecaen-8-amine
25-tert-butyl-21-(4-tert-butylphenyl)-5,5-dimethyl-N,N,15-triphenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaen-8-amine;5,5-dimethyl-8-N,8-N,24-N,24-N,15,21-hexakis-phenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaene-8,24-diamine;28,28-dimethyl-N,N,12,18-tetraphenyl-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.022,27]dotriaconta-2(11),3,5,7,9,13(32),14,16,19,21(29),22(27),23,25,30-tetradecaen-25-amine;5,5-dimethyl-N,N,15,24-tetraphenyl-21-(3-phenylphenyl)-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16(28),17,19,22(27),23,25-dodecaen-8-amine (PubChem CID 159627492) has the molecular formula C240H187B4N13
and a molecular weight of 3296.47 g/mol. Its IUPAC name is 25-tert-butyl-21-(4-tert-butylphenyl)-5,5-dimethyl-N,N,15-triphenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaen-8-amine;5,5-dimethyl-8-N,8-N,24-N,24-N,15,21-hexakis-phenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaene-8,24-diamine;28,28-dimethyl-N,N,12,18-tetraphenyl-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.022,27]dotriaconta-2(11),3,5,7,9,13(32),14,16,19,21(29),22(27),23,25,30-tetradecaen-25-amine;5,5-dimethyl-N,N,15,24-tetraphenyl-21-(3-phenylphenyl)-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16(28),17,19,22(27),23,25-dodecaen-8-amine.
Frequently Asked Questions
What is the IUPAC name of 25-tert-butyl-21-(4-tert-butylphenyl)-5,5-dimethyl-N,N,15-triphenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaen-8-amine;5,5-dimethyl-8-N,8-N,24-N,24-N,15,21-hexakis-phenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaene-8,24-diamine;28,28-dimethyl-N,N,12,18-tetraphenyl-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.022,27]dotriaconta-2(11),3,5,7,9,13(32),14,16,19,21(29),22(27),23,25,30-tetradecaen-25-amine;5,5-dimethyl-N,N,15,24-tetraphenyl-21-(3-phenylphenyl)-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16(28),17,19,22(27),23,25-dodecaen-8-amine?
The IUPAC name of 25-tert-butyl-21-(4-tert-butylphenyl)-5,5-dimethyl-N,N,15-triphenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaen-8-amine;5,5-dimethyl-8-N,8-N,24-N,24-N,15,21-hexakis-phenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaene-8,24-diamine;28,28-dimethyl-N,N,12,18-tetraphenyl-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.022,27]dotriaconta-2(11),3,5,7,9,13(32),14,16,19,21(29),22(27),23,25,30-tetradecaen-25-amine;5,5-dimethyl-N,N,15,24-tetraphenyl-21-(3-phenylphenyl)-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16(28),17,19,22(27),23,25-dodecaen-8-amine (CID 159627492) is 25-tert-butyl-21-(4-tert-butylphenyl)-5,5-dimethyl-N,N,15-triphenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaen-8-amine;5,5-dimethyl-8-N,8-N,24-N,24-N,15,21-hexakis-phenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaene-8,24-diamine;28,28-dimethyl-N,N,12,18-tetraphenyl-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.022,27]dotriaconta-2(11),3,5,7,9,13(32),14,16,19,21(29),22(27),23,25,30-tetradecaen-25-amine;5,5-dimethyl-N,N,15,24-tetraphenyl-21-(3-phenylphenyl)-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16(28),17,19,22(27),23,25-dodecaen-8-amine.
What is the SMILES notation for 25-tert-butyl-21-(4-tert-butylphenyl)-5,5-dimethyl-N,N,15-triphenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaen-8-amine;5,5-dimethyl-8-N,8-N,24-N,24-N,15,21-hexakis-phenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaene-8,24-diamine;28,28-dimethyl-N,N,12,18-tetraphenyl-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.022,27]dotriaconta-2(11),3,5,7,9,13(32),14,16,19,21(29),22(27),23,25,30-tetradecaen-25-amine;5,5-dimethyl-N,N,15,24-tetraphenyl-21-(3-phenylphenyl)-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16(28),17,19,22(27),23,25-dodecaen-8-amine?
The canonical SMILES for 25-tert-butyl-21-(4-tert-butylphenyl)-5,5-dimethyl-N,N,15-triphenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaen-8-amine;5,5-dimethyl-8-N,8-N,24-N,24-N,15,21-hexakis-phenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaene-8,24-diamine;28,28-dimethyl-N,N,12,18-tetraphenyl-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.022,27]dotriaconta-2(11),3,5,7,9,13(32),14,16,19,21(29),22(27),23,25,30-tetradecaen-25-amine;5,5-dimethyl-N,N,15,24-tetraphenyl-21-(3-phenylphenyl)-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16(28),17,19,22(27),23,25-dodecaen-8-amine is CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc5c(cc4N(c4ccccc4)c4cccc2c43)-c2ccc(N(c3ccccc3)c3ccccc3)cc2C5(C)C)cc1.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(cc21)B1c2c(cccc2N(c2ccccc2)c2ccc4ccccc4c21)N3c1ccccc1.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(cc21)B1c2ccc(-c4ccccc4)cc2N(c2cccc(-c4ccccc4)c2)c2cccc(c21)N3c1ccccc1.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(cc21)B1c2ccc(N(c4ccccc4)c4ccccc4)cc2N(c2ccccc2)c2cccc(c21)N3c1ccccc1.
What is the InChIKey of 25-tert-butyl-21-(4-tert-butylphenyl)-5,5-dimethyl-N,N,15-triphenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaen-8-amine;5,5-dimethyl-8-N,8-N,24-N,24-N,15,21-hexakis-phenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaene-8,24-diamine;28,28-dimethyl-N,N,12,18-tetraphenyl-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.022,27]dotriaconta-2(11),3,5,7,9,13(32),14,16,19,21(29),22(27),23,25,30-tetradecaen-25-amine;5,5-dimethyl-N,N,15,24-tetraphenyl-21-(3-phenylphenyl)-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16(28),17,19,22(27),23,25-dodecaen-8-amine?
The InChIKey is MOROMQCETOHCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47BN4.C63H46BN3.C59H54BN3.C55H40BN3/c1-63(2)54-40-50(65(44-22-9-3-10-23-44)45-24-11-4-12-25-45)36-38-52(54)53-42-61-57(43-55(53)63)64-56-39-37-51(66(46-26-13-5-14-27-46)47-28-15-6-16-29-47)41-60(56)67(48-30-17-7-18-31-48)58-34-21-35-59(62(58)64)68(61)49-32-19-8-20-33-49;1-63(2)54-40-51(65(47-25-12-5-13-26-47)48-27-14-6-15-28-48)35-36-52(54)53-41-61-57(42-55(53)63)64-56-37-34-46(44-22-10-4-11-23-44)39-60(56)67(50-31-18-24-45(38-50)43-20-8-3-9-21-43)59-33-19-32-58(62(59)64)66(61)49-29-16-7-17-30-49;1-57(2,3)39-27-30-44(31-28-39)62-52-34-29-40(58(4,5)6)35-50(52)60-51-38-49-47(37-55(51)63(43-23-16-11-17-24-43)54-26-18-25-53(62)56(54)60)46-33-32-45(36-48(46)59(49,7)8)61(41-19-12-9-13-20-41)42-21-14-10-15-22-42;1-55(2)46-34-42(57(38-19-7-3-8-20-38)39-21-9-4-10-22-39)31-32-44(46)45-35-52-48(36-47(45)55)56-53-43-27-16-15-18-37(43)30-33-51(53)58(40-23-11-5-12-24-40)49-28-17-29-50(54(49)56)59(52)41-25-13-6-14-26-41/h3-43H,1-2H3;3-42H,1-2H3;9-38H,1-8H3;3-36H,1-2H3.
What are the key properties of 25-tert-butyl-21-(4-tert-butylphenyl)-5,5-dimethyl-N,N,15-triphenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaen-8-amine;5,5-dimethyl-8-N,8-N,24-N,24-N,15,21-hexakis-phenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaene-8,24-diamine;28,28-dimethyl-N,N,12,18-tetraphenyl-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.022,27]dotriaconta-2(11),3,5,7,9,13(32),14,16,19,21(29),22(27),23,25,30-tetradecaen-25-amine;5,5-dimethyl-N,N,15,24-tetraphenyl-21-(3-phenylphenyl)-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16(28),17,19,22(27),23,25-dodecaen-8-amine?
25-tert-butyl-21-(4-tert-butylphenyl)-5,5-dimethyl-N,N,15-triphenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaen-8-amine;5,5-dimethyl-8-N,8-N,24-N,24-N,15,21-hexakis-phenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaene-8,24-diamine;28,28-dimethyl-N,N,12,18-tetraphenyl-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.022,27]dotriaconta-2(11),3,5,7,9,13(32),14,16,19,21(29),22(27),23,25,30-tetradecaen-25-amine;5,5-dimethyl-N,N,15,24-tetraphenyl-21-(3-phenylphenyl)-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16(28),17,19,22(27),23,25-dodecaen-8-amine has a molecular weight of 3296.47 g/mol, XLogP of 56.73, 25 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 25-tert-butyl-21-(4-tert-butylphenyl)-5,5-dimethyl-N,N,15-triphenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaen-8-amine;5,5-dimethyl-8-N,8-N,24-N,24-N,15,21-hexakis-phenyl-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22(27),23,25-dodecaene-8,24-diamine;28,28-dimethyl-N,N,12,18-tetraphenyl-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.021,29.022,27]dotriaconta-2(11),3,5,7,9,13(32),14,16,19,21(29),22(27),23,25,30-tetradecaen-25-amine;5,5-dimethyl-N,N,15,24-tetraphenyl-21-(3-phenylphenyl)-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16(28),17,19,22(27),23,25-dodecaen-8-amine is sourced from PubChem (CID 159627492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).