About 18-(2-methyl-6-phenylphenyl)-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
18-(2-methyl-6-phenylphenyl)-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (PubChem CID 167562204) has the molecular formula C267H182B6N12S6
and a molecular weight of 3815.75 g/mol. Its IUPAC name is 18-(2-methyl-6-phenylphenyl)-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.
Frequently Asked Questions
What is the IUPAC name of 18-(2-methyl-6-phenylphenyl)-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?
The IUPAC name of 18-(2-methyl-6-phenylphenyl)-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (CID 167562204) is 18-(2-methyl-6-phenylphenyl)-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.
What is the SMILES notation for 18-(2-methyl-6-phenylphenyl)-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?
The canonical SMILES for 18-(2-methyl-6-phenylphenyl)-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is Cc1cccc(-c2ccccc2)c1N1c2cc3c(cc2B2c4ccccc4Sc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc1c42)B1c2ccccc2N(c2ccccc2)c2cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc(c21)S3.Cc1cccc(-c2ccccc2)c1N1c2cc3c(cc2B2c4ccccc4Sc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc1c42)B1c2ccccc2N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc(c21)S3.Cc1cccc(-c2ccccc2)c1N1c2cc3c(cc2B2c4ccccc4Sc4cc(N(c5ccccc5)c5ccccc5)cc1c42)B1c2ccccc2N(c2ccccc2)c2cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc(c21)S3.
What is the InChIKey of 18-(2-methyl-6-phenylphenyl)-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?
The InChIKey is DUSYRDXDGGFWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H66B2N4S2.2C85H58B2N4S2/c1-65-25-24-38-82(74-34-16-6-17-35-74)97(65)103-88-64-92-86(63-85(88)99-84-40-21-23-42-91(84)104-93-61-81(60-90(103)96(93)99)101(78-55-47-72(48-56-78)68-30-12-4-13-31-68)79-57-49-73(50-58-79)69-32-14-5-15-33-69)98-83-39-20-22-41-87(83)102(75-36-18-7-19-37-75)89-59-80(62-94(105-92)95(89)98)100(76-51-43-70(44-52-76)66-26-8-2-9-27-66)77-53-45-71(46-54-77)67-28-10-3-11-29-67;1-57-25-24-38-70(62-30-12-4-13-31-62)85(57)91-76-56-80-74(55-73(76)87-72-40-21-23-42-79(72)92-81-53-69(52-78(91)84(81)87)88(63-32-14-5-15-33-63)64-34-16-6-17-35-64)86-71-39-20-22-41-75(71)90(65-36-18-7-19-37-65)77-51-68(54-82(93-80)83(77)86)89(66-47-43-60(44-48-66)58-26-8-2-9-27-58)67-49-45-61(46-50-67)59-28-10-3-11-29-59;1-57-25-24-38-70(62-30-12-4-13-31-62)85(57)91-76-56-80-74(86-71-39-20-22-41-75(71)90(65-36-18-7-19-37-65)77-51-68(54-82(93-80)83(77)86)88(63-32-14-5-15-33-63)64-34-16-6-17-35-64)55-73(76)87-72-40-21-23-42-79(72)92-81-53-69(52-78(91)84(81)87)89(66-47-43-60(44-48-66)58-26-8-2-9-27-58)67-49-45-61(46-50-67)59-28-10-3-11-29-59/h2-64H,1H3;2*2-56H,1H3.
What are the key properties of 18-(2-methyl-6-phenylphenyl)-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?
18-(2-methyl-6-phenylphenyl)-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine has a molecular weight of 3815.75 g/mol, XLogP of 61.72, 35 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(2-methyl-6-phenylphenyl)-28-phenyl-15-N,15-N,25-N,25-N-tetrakis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-15-N,15-N,28-triphenyl-25-N,25-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;18-(2-methyl-6-phenylphenyl)-25-N,25-N,28-triphenyl-15-N,15-N-bis(4-phenylphenyl)-12,22-dithia-18,28-diaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13,15,17(36),19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is sourced from PubChem (CID 167562204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).