About 6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9-(4-tert-butyl-2-phenylphenyl)-12,17,17-trimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-12,17,17-trimethyl-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-9-dibenzofuran-4-yl-17,17-dimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene-6,12-diamine
6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9-(4-tert-butyl-2-phenylphenyl)-12,17,17-trimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-12,17,17-trimethyl-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-9-dibenzofuran-4-yl-17,17-dimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene-6,12-diamine (PubChem CID 164955368) has the molecular formula C207H207B3N10O
and a molecular weight of 2883.44 g/mol. Its IUPAC name is 6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9-(4-tert-butyl-2-phenylphenyl)-12,17,17-trimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-12,17,17-trimethyl-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-9-dibenzofuran-4-yl-17,17-dimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene-6,12-diamine.
Frequently Asked Questions
What is the IUPAC name of 6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9-(4-tert-butyl-2-phenylphenyl)-12,17,17-trimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-12,17,17-trimethyl-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-9-dibenzofuran-4-yl-17,17-dimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene-6,12-diamine?
The IUPAC name of 6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9-(4-tert-butyl-2-phenylphenyl)-12,17,17-trimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-12,17,17-trimethyl-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-9-dibenzofuran-4-yl-17,17-dimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene-6,12-diamine (CID 164955368) is 6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9-(4-tert-butyl-2-phenylphenyl)-12,17,17-trimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-12,17,17-trimethyl-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-9-dibenzofuran-4-yl-17,17-dimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene-6,12-diamine.
What is the SMILES notation for 6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9-(4-tert-butyl-2-phenylphenyl)-12,17,17-trimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-12,17,17-trimethyl-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-9-dibenzofuran-4-yl-17,17-dimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene-6,12-diamine?
The canonical SMILES for 6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9-(4-tert-butyl-2-phenylphenyl)-12,17,17-trimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-12,17,17-trimethyl-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-9-dibenzofuran-4-yl-17,17-dimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene-6,12-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)N(c2cccc4c2oc2ccccc24)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc4c2B3c2cccc3c5c(n-4c23)C(C)(C)c2ccccc2-5)cc1.Cc1cc2c3c(c1)-n1c4c(c5cccc(c51)B3c1ccc(N3c5ccc(C(C)(C)C)cc5C5(C)CCCCC35C)cc1N2c1ccc(C(C)(C)C)cc1-c1ccccc1)-c1ccccc1C4(C)C.Cc1cc2c3c(c1)-n1c4c(c5cccc(c51)B3c1ccc(N3c5ccc(C(C)(C)C)cc5C5(C)CCCCC35C)cc1N2c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccccc1C4(C)C.
What is the InChIKey of 6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9-(4-tert-butyl-2-phenylphenyl)-12,17,17-trimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-12,17,17-trimethyl-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-9-dibenzofuran-4-yl-17,17-dimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene-6,12-diamine?
The InChIKey is BCFYKRAYXQTGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H77BN4O.C64H64BN3.C62H66BN3/c1-77(2,3)50-29-37-54(38-30-50)83(55-39-31-51(32-40-55)78(4,5)6)58-45-46-65-68(47-58)85(67-27-20-23-61-60-21-16-18-28-71(60)87-75(61)67)69-48-59(84(56-41-33-52(34-42-56)79(7,8)9)57-43-35-53(36-44-57)80(10,11)12)49-70-73(69)82(65)66-26-19-24-63-72-62-22-15-17-25-64(62)81(13,14)76(72)86(70)74(63)66;1-39-34-54-57-55(35-39)67-58-45(56-44-22-15-16-24-47(44)62(8,9)59(56)67)23-19-25-50(58)65(57)49-29-28-43(68-52-31-27-42(61(5,6)7)37-48(52)63(10)32-17-18-33-64(63,68)11)38-53(49)66(54)51-30-26-41(60(2,3)4)36-46(51)40-20-13-12-14-21-40;1-37-32-51-54-52(33-37)65-55-42(53-41-18-13-14-20-43(41)60(9,10)56(53)65)19-17-21-48(55)63(54)47-26-24-40(36-50(47)64(51)39-23-25-44-45(35-39)59(7,8)31-30-58(44,5)6)66-49-27-22-38(57(2,3)4)34-46(49)61(11)28-15-16-29-62(61,66)12/h15-49H,1-14H3;12-16,19-31,34-38H,17-18,32-33H2,1-11H3;13-14,17-27,32-36H,15-16,28-31H2,1-12H3.
What are the key properties of 6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9-(4-tert-butyl-2-phenylphenyl)-12,17,17-trimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-12,17,17-trimethyl-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-9-dibenzofuran-4-yl-17,17-dimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene-6,12-diamine?
6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9-(4-tert-butyl-2-phenylphenyl)-12,17,17-trimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-12,17,17-trimethyl-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-9-dibenzofuran-4-yl-17,17-dimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene-6,12-diamine has a molecular weight of 2883.44 g/mol, XLogP of 49.69, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9-(4-tert-butyl-2-phenylphenyl)-12,17,17-trimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-(6-tert-butyl-4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-12,17,17-trimethyl-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6-N,6-N,12-N,12-N-tetrakis(4-tert-butylphenyl)-9-dibenzofuran-4-yl-17,17-dimethyl-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene-6,12-diamine is sourced from PubChem (CID 164955368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).