About 20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N,9-pentakis-phenyl-1,9,23-triaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-9-N,9-N,26-N,26-N-tetraphenyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-9,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-oxa-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-thia-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine
20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N,9-pentakis-phenyl-1,9,23-triaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-9-N,9-N,26-N,26-N-tetraphenyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-9,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-oxa-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-thia-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine (PubChem CID 165038398) has the molecular formula C263H219B4N17OS
and a molecular weight of 3709.08 g/mol. Its IUPAC name is 20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N,9-pentakis-phenyl-1,9,23-triaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-9-N,9-N,26-N,26-N-tetraphenyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-9,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-oxa-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-thia-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine.
Frequently Asked Questions
What is the IUPAC name of 20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N,9-pentakis-phenyl-1,9,23-triaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-9-N,9-N,26-N,26-N-tetraphenyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-9,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-oxa-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-thia-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine?
The IUPAC name of 20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N,9-pentakis-phenyl-1,9,23-triaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-9-N,9-N,26-N,26-N-tetraphenyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-9,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-oxa-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-thia-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine (CID 165038398) is 20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N,9-pentakis-phenyl-1,9,23-triaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-9-N,9-N,26-N,26-N-tetraphenyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-9,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-oxa-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-thia-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine.
What is the SMILES notation for 20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N,9-pentakis-phenyl-1,9,23-triaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-9-N,9-N,26-N,26-N-tetraphenyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-9,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-oxa-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-thia-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine?
The canonical SMILES for 20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N,9-pentakis-phenyl-1,9,23-triaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-9-N,9-N,26-N,26-N-tetraphenyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-9,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-oxa-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-thia-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine is CC(C)(C)c1cccc(N2c3cc(C(C)(C)C)ccc3B3c4c2cc(N(c2ccccc2)c2ccccc2)cc4-n2c4c(c5cccc3c52)C(N(c2ccccc2)c2ccccc2)c2ccccc2-4)c1.CC(C)(C)c1cccc(N2c3cc(C(C)(C)C)ccc3B3c4c2cc(N(c2ccccc2)c2ccccc2)cc4-n2c4c3ccc(N(c3ccccc3)c3ccccc3)c4c3c2c2ccccc2n3-c2ccccc2)c1.CC(C)(C)c1cccc(N2c3cc(C(C)(C)C)ccc3B3c4c2cc(N(c2ccccc2)c2ccccc2)cc4-n2c4c3ccc(N(c3ccccc3)c3ccccc3)c4c3oc4ccccc4c32)c1.CC(C)(C)c1cccc(N2c3cc(C(C)(C)C)ccc3B3c4c2cc(N(c2ccccc2)c2ccccc2)cc4-n2c4c3ccc(N(c3ccccc3)c3ccccc3)c4c3sc4ccccc4c32)c1.
What is the InChIKey of 20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N,9-pentakis-phenyl-1,9,23-triaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-9-N,9-N,26-N,26-N-tetraphenyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-9,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-oxa-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-thia-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine?
The InChIKey is NSVZTQIKDBRZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H58BN5.C65H55BN4.C64H53BN4O.C64H53BN4S/c1-69(2,3)47-25-24-36-54(43-47)74-61-44-48(70(4,5)6)39-40-57(61)71-58-41-42-60(73(51-30-16-9-17-31-51)52-32-18-10-19-33-52)64-67(58)76(66-56-37-22-23-38-59(56)75(68(64)66)53-34-20-11-21-35-53)63-46-55(45-62(74)65(63)71)72(49-26-12-7-13-27-49)50-28-14-8-15-29-50;1-64(2,3)43-23-21-32-49(39-43)69-56-40-44(65(4,5)6)37-38-54(56)66-55-36-22-35-53-59-62(68(47-28-15-9-16-29-47)48-30-17-10-18-31-48)51-33-19-20-34-52(51)63(59)70(61(53)55)58-42-50(41-57(69)60(58)66)67(45-24-11-7-12-25-45)46-26-13-8-14-27-46;2*1-63(2,3)42-22-21-31-48(38-42)68-54-39-43(64(4,5)6)34-35-51(54)65-52-36-37-53(67(46-27-15-9-16-28-46)47-29-17-10-18-30-47)58-61(52)69(60-50-32-19-20-33-57(50)70-62(58)60)56-41-49(40-55(68)59(56)65)66(44-23-11-7-12-24-44)45-25-13-8-14-26-45/h7-46H,1-6H3;7-42,62H,1-6H3;2*7-41H,1-6H3.
What are the key properties of 20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N,9-pentakis-phenyl-1,9,23-triaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-9-N,9-N,26-N,26-N-tetraphenyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-9,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-oxa-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-thia-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine?
20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N,9-pentakis-phenyl-1,9,23-triaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-9-N,9-N,26-N,26-N-tetraphenyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-9,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-oxa-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-thia-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine has a molecular weight of 3709.08 g/mol, XLogP of 63.91, 29 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N,9-pentakis-phenyl-1,9,23-triaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-9-N,9-N,26-N,26-N-tetraphenyl-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-9,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-oxa-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine;20-tert-butyl-23-(3-tert-butylphenyl)-12-N,12-N,26-N,26-N-tetraphenyl-9-thia-1,23-diaza-16-boraoctacyclo[13.13.1.116,24.02,10.03,8.011,29.017,22.028,30]triaconta-2(10),3,5,7,11,13,15(29),17(22),18,20,24,26,28(30)-tridecaene-12,26-diamine is sourced from PubChem (CID 165038398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).