About 18,22-bis(2-dibenzofuran-4-ylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-dibenzothiophen-4-ylphenyl)-15-N,15-N,25-N-triphenyl-25-N,22,28-tris(2-phenylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;8,10-dimethyl-15-N,25-N,22,28,31-pentakis-phenyl-18-[2-(9-phenylcarbazol-2-yl)phenyl]-25-N-(3-phenylphenyl)-15-N-(2,4,6-trimethylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine
18,22-bis(2-dibenzofuran-4-ylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-dibenzothiophen-4-ylphenyl)-15-N,15-N,25-N-triphenyl-25-N,22,28-tris(2-phenylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;8,10-dimethyl-15-N,25-N,22,28,31-pentakis-phenyl-18-[2-(9-phenylcarbazol-2-yl)phenyl]-25-N-(3-phenylphenyl)-15-N-(2,4,6-trimethylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine (PubChem CID 165029647) has the molecular formula C305H206B6N16O2S4
and a molecular weight of 4320.25 g/mol. Its IUPAC name is 18,22-bis(2-dibenzofuran-4-ylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-dibenzothiophen-4-ylphenyl)-15-N,15-N,25-N-triphenyl-25-N,22,28-tris(2-phenylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;8,10-dimethyl-15-N,25-N,22,28,31-pentakis-phenyl-18-[2-(9-phenylcarbazol-2-yl)phenyl]-25-N-(3-phenylphenyl)-15-N-(2,4,6-trimethylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine.
Frequently Asked Questions
What is the IUPAC name of 18,22-bis(2-dibenzofuran-4-ylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-dibenzothiophen-4-ylphenyl)-15-N,15-N,25-N-triphenyl-25-N,22,28-tris(2-phenylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;8,10-dimethyl-15-N,25-N,22,28,31-pentakis-phenyl-18-[2-(9-phenylcarbazol-2-yl)phenyl]-25-N-(3-phenylphenyl)-15-N-(2,4,6-trimethylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine?
The IUPAC name of 18,22-bis(2-dibenzofuran-4-ylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-dibenzothiophen-4-ylphenyl)-15-N,15-N,25-N-triphenyl-25-N,22,28-tris(2-phenylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;8,10-dimethyl-15-N,25-N,22,28,31-pentakis-phenyl-18-[2-(9-phenylcarbazol-2-yl)phenyl]-25-N-(3-phenylphenyl)-15-N-(2,4,6-trimethylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine (CID 165029647) is 18,22-bis(2-dibenzofuran-4-ylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-dibenzothiophen-4-ylphenyl)-15-N,15-N,25-N-triphenyl-25-N,22,28-tris(2-phenylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;8,10-dimethyl-15-N,25-N,22,28,31-pentakis-phenyl-18-[2-(9-phenylcarbazol-2-yl)phenyl]-25-N-(3-phenylphenyl)-15-N-(2,4,6-trimethylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine.
What is the SMILES notation for 18,22-bis(2-dibenzofuran-4-ylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-dibenzothiophen-4-ylphenyl)-15-N,15-N,25-N-triphenyl-25-N,22,28-tris(2-phenylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;8,10-dimethyl-15-N,25-N,22,28,31-pentakis-phenyl-18-[2-(9-phenylcarbazol-2-yl)phenyl]-25-N-(3-phenylphenyl)-15-N-(2,4,6-trimethylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine?
The canonical SMILES for 18,22-bis(2-dibenzofuran-4-ylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-dibenzothiophen-4-ylphenyl)-15-N,15-N,25-N-triphenyl-25-N,22,28-tris(2-phenylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;8,10-dimethyl-15-N,25-N,22,28,31-pentakis-phenyl-18-[2-(9-phenylcarbazol-2-yl)phenyl]-25-N-(3-phenylphenyl)-15-N-(2,4,6-trimethylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine is Cc1cc(C)c(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2-c2ccc5c6ccccc6n(-c6ccccc6)c5c2)c2cc5c(cc2B4c2cc(C)cc(C)c2S3)B2c3ccc(-c4ccccc4)cc3N(c3ccccc3)c3cc(N(c4ccccc4)c4cccc(-c6ccccc6)c4)cc(c32)N5c2ccccc2)c(C)c1.c1ccc(-c2ccccc2N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2-c2ccccc2)c2cc5c(cc2B4c2ccccc2N3c2ccccc2-c2ccccc2)B2c3ccccc3Sc3cc(N(c4ccccc4)c4ccccc4)cc(c32)N5c2ccccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2-c2cccc5c2oc2ccccc25)c2cc5c(cc2B4c2ccccc2S3)B2c3ccccc3N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(c32)N5c2ccccc2-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 18,22-bis(2-dibenzofuran-4-ylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-dibenzothiophen-4-ylphenyl)-15-N,15-N,25-N-triphenyl-25-N,22,28-tris(2-phenylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;8,10-dimethyl-15-N,25-N,22,28,31-pentakis-phenyl-18-[2-(9-phenylcarbazol-2-yl)phenyl]-25-N-(3-phenylphenyl)-15-N-(2,4,6-trimethylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine?
The InChIKey is MLDMJQBBSXNRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H78B2N6S.C102H67B2N5S2.C96H61B2N5O2S/c1-69-56-71(3)106(72(4)57-69)111(80-39-19-9-20-40-80)86-65-102-105-103(66-86)116-107-73(5)58-70(2)59-93(107)109(105)92-67-91-98(68-99(92)115(102)94-50-29-27-48-87(94)78-52-54-89-88-49-28-30-51-95(88)112(96(89)62-78)81-41-21-10-22-42-81)114(83-45-25-12-26-46-83)101-64-85(110(79-37-17-8-18-38-79)84-47-31-36-76(60-84)74-32-13-6-14-33-74)63-100-104(101)108(91)90-55-53-77(75-34-15-7-16-35-75)61-97(90)113(100)82-43-23-11-24-44-82;1-7-34-68(35-8-1)76-46-19-26-55-87(76)106(73-44-17-6-18-45-73)74-62-94-100-95(63-74)108(89-57-28-21-48-78(89)70-38-11-3-12-39-70)92-67-93-86(66-85(92)103(100)83-53-24-30-59-91(83)107(94)88-56-27-20-47-77(88)69-36-9-2-10-37-69)104-84-54-25-32-61-98(84)110-99-65-75(105(71-40-13-4-14-41-71)72-42-15-5-16-43-72)64-96(101(99)104)109(93)90-58-29-22-49-79(90)81-51-33-52-82-80-50-23-31-60-97(80)111-102(81)82;1-6-30-62(31-7-1)99(63-32-8-2-9-33-63)67-56-86-93-87(57-67)102(81-50-22-16-40-69(81)73-44-28-46-75-71-42-18-25-53-89(71)104-95(73)75)84-61-85-80(60-79(84)97(93)77-48-20-24-52-83(77)101(86)66-38-14-5-15-39-66)98-78-49-21-27-55-91(78)106-92-59-68(100(64-34-10-3-11-35-64)65-36-12-4-13-37-65)58-88(94(92)98)103(85)82-51-23-17-41-70(82)74-45-29-47-76-72-43-19-26-54-90(72)105-96(74)76/h6-68H,1-5H3;1-67H;1-61H.
What are the key properties of 18,22-bis(2-dibenzofuran-4-ylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-dibenzothiophen-4-ylphenyl)-15-N,15-N,25-N-triphenyl-25-N,22,28-tris(2-phenylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;8,10-dimethyl-15-N,25-N,22,28,31-pentakis-phenyl-18-[2-(9-phenylcarbazol-2-yl)phenyl]-25-N-(3-phenylphenyl)-15-N-(2,4,6-trimethylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine?
18,22-bis(2-dibenzofuran-4-ylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-dibenzothiophen-4-ylphenyl)-15-N,15-N,25-N-triphenyl-25-N,22,28-tris(2-phenylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;8,10-dimethyl-15-N,25-N,22,28,31-pentakis-phenyl-18-[2-(9-phenylcarbazol-2-yl)phenyl]-25-N-(3-phenylphenyl)-15-N-(2,4,6-trimethylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine has a molecular weight of 4320.25 g/mol, XLogP of 72.23, 37 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 18,22-bis(2-dibenzofuran-4-ylphenyl)-15-N,15-N,25-N,25-N,28-pentakis-phenyl-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-dibenzothiophen-4-ylphenyl)-15-N,15-N,25-N-triphenyl-25-N,22,28-tris(2-phenylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;8,10-dimethyl-15-N,25-N,22,28,31-pentakis-phenyl-18-[2-(9-phenylcarbazol-2-yl)phenyl]-25-N-(3-phenylphenyl)-15-N-(2,4,6-trimethylphenyl)-12-thia-18,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23,25,27(35),29(34),30,32-pentadecaene-15,25-diamine is sourced from PubChem (CID 165029647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).