About 12-N,18-N-bis(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-bis(3-methylphenyl)-15-(4-trimethylsilylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(8-tert-butyldibenzofuran-2-yl)-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
12-N,18-N-bis(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-bis(3-methylphenyl)-15-(4-trimethylsilylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(8-tert-butyldibenzofuran-2-yl)-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine (PubChem CID 163869635) has the molecular formula C266H262N6O5S4Si
and a molecular weight of 3779.41 g/mol. Its IUPAC name is 12-N,18-N-bis(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-bis(3-methylphenyl)-15-(4-trimethylsilylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(8-tert-butyldibenzofuran-2-yl)-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine.
Frequently Asked Questions
What is the IUPAC name of 12-N,18-N-bis(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-bis(3-methylphenyl)-15-(4-trimethylsilylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(8-tert-butyldibenzofuran-2-yl)-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine?
The IUPAC name of 12-N,18-N-bis(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-bis(3-methylphenyl)-15-(4-trimethylsilylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(8-tert-butyldibenzofuran-2-yl)-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine (CID 163869635) is 12-N,18-N-bis(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-bis(3-methylphenyl)-15-(4-trimethylsilylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(8-tert-butyldibenzofuran-2-yl)-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine.
What is the SMILES notation for 12-N,18-N-bis(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-bis(3-methylphenyl)-15-(4-trimethylsilylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(8-tert-butyldibenzofuran-2-yl)-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine?
The canonical SMILES for 12-N,18-N-bis(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-bis(3-methylphenyl)-15-(4-trimethylsilylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(8-tert-butyldibenzofuran-2-yl)-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4c2sc2ccccc24)C3(c2ccc(C(C)(C)C)cc2)c2ccc3oc4ccc(C(C)(C)C)cc4c3c2)cc1.CC(C)(C)c1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)c5c(sc6ccccc65)c4-c4c3cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c3oc5ccccc5c43)cc2)cc1.Cc1cccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4cccc(C)c4)c4c2sc2ccccc24)C3(c2ccc(Sc3ccc(C(C)(C)C)cc3)cc2)c2ccc([Si](C)(C)C)cc2)c1.
What is the InChIKey of 12-N,18-N-bis(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-bis(3-methylphenyl)-15-(4-trimethylsilylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(8-tert-butyldibenzofuran-2-yl)-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine?
The InChIKey is PJQMNTQIVPNWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H90N2O2S.C91H92N2O2S.C84H80N2OS2Si/c1-85(2,3)55-27-29-60(30-28-55)91(62-40-50-77-70(52-62)69-51-61(90(16,17)18)39-49-76(69)94-77)71-54-74(93(65-45-35-58(36-46-65)88(10,11)12)66-47-37-59(38-48-66)89(13,14)15)83-80(67-23-19-21-25-75(67)95-83)81(71)82-72(91)53-73(79-68-24-20-22-26-78(68)96-84(79)82)92(63-41-31-56(32-42-63)86(4,5)6)64-43-33-57(34-44-64)87(7,8)9;1-85(2,3)57-27-29-63(30-28-57)91(64-41-53-70(54-42-64)94-69-51-39-62(40-52-69)90(16,17)18)73-56-76(93(67-47-35-60(36-48-67)88(10,11)12)68-49-37-61(38-50-68)89(13,14)15)83-80(71-23-19-21-25-77(71)95-83)81(73)82-74(91)55-75(79-72-24-20-22-26-78(72)96-84(79)82)92(65-43-31-58(32-44-65)86(4,5)6)66-45-33-59(34-46-66)87(7,8)9;1-53-21-19-23-62(49-53)85(60-39-29-55(30-40-60)81(3,4)5)71-51-70-78(80-75(71)68-26-16-18-28-74(68)89-80)77-69(84(70,59-37-47-66(48-38-59)90(12,13)14)58-35-45-65(46-36-58)88-64-43-33-57(34-44-64)83(9,10)11)52-72(79-76(77)67-25-15-17-27-73(67)87-79)86(63-24-20-22-54(2)50-63)61-41-31-56(32-42-61)82(6,7)8/h19-54H,1-18H3;19-56H,1-18H3;15-52H,1-14H3.
What are the key properties of 12-N,18-N-bis(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-bis(3-methylphenyl)-15-(4-trimethylsilylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(8-tert-butyldibenzofuran-2-yl)-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine?
12-N,18-N-bis(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-bis(3-methylphenyl)-15-(4-trimethylsilylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(8-tert-butyldibenzofuran-2-yl)-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine has a molecular weight of 3779.41 g/mol, XLogP of 78.24, 29 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 12-N,18-N-bis(4-tert-butylphenyl)-15-[4-(4-tert-butylphenyl)sulfanylphenyl]-12-N,18-N-bis(3-methylphenyl)-15-(4-trimethylsilylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-(8-tert-butyldibenzofuran-2-yl)-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10-oxa-26-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine is sourced from PubChem (CID 163869635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).