About 18-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(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-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(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-[2,6-bis(4-tert-butylphenyl)phenyl]-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 167674443) has the molecular formula C300H232B6N12S6
and a molecular weight of 4262.51 g/mol. Its IUPAC name is 18-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(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-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(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-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(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-[2,6-bis(4-tert-butylphenyl)phenyl]-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 167674443) is 18-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(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-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(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-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(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-[2,6-bis(4-tert-butylphenyl)phenyl]-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 CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2c3cc4c(cc3B3c5ccccc5Sc5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc2c53)B2c3ccccc3N(c3ccccc3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc(c32)S4)cc1.CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2c3cc4c(cc3B3c5ccccc5Sc5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc2c53)B2c3ccccc3N(c3ccccc3)c3cc(N(c5ccccc5)c5ccccc5)cc(c32)S4)cc1.CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2c3cc4c(cc3B3c5ccccc5Sc5cc(N(c6ccccc6)c6ccccc6)cc2c53)B2c3ccccc3N(c3ccccc3)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc(c32)S4)cc1.
What is the InChIKey of 18-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(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-[2,6-bis(4-tert-butylphenyl)phenyl]-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 UPKAOEZLRQWOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H84B2N4S2.C98H76B2N4S2.C92H72B2N4S2/c1-109(2,3)83-55-43-81(44-56-83)92-37-26-38-93(82-45-57-84(58-46-82)110(4,5)6)108(92)116-99-72-103-97(71-96(99)112-95-40-23-25-42-102(95)117-104-69-91(68-101(116)107(104)112)114(88-63-51-79(52-64-88)75-31-16-9-17-32-75)89-65-53-80(54-66-89)76-33-18-10-19-34-76)111-94-39-22-24-41-98(94)115(85-35-20-11-21-36-85)100-67-90(70-105(118-103)106(100)111)113(86-59-47-77(48-60-86)73-27-12-7-13-28-73)87-61-49-78(50-62-87)74-29-14-8-15-30-74;1-97(2,3)71-51-43-69(44-52-71)80-37-26-38-81(70-45-53-72(54-46-70)98(4,5)6)96(80)104-87-64-91-85(99-82-39-22-24-41-86(82)103(75-35-20-11-21-36-75)88-59-78(62-93(106-91)94(88)99)101(73-31-16-9-17-32-73)74-33-18-10-19-34-74)63-84(87)100-83-40-23-25-42-90(83)105-92-61-79(60-89(104)95(92)100)102(76-55-47-67(48-56-76)65-27-12-7-13-28-65)77-57-49-68(50-58-77)66-29-14-8-15-30-66;1-91(2,3)65-49-43-63(44-50-65)74-37-26-38-75(64-45-51-66(52-46-64)92(4,5)6)90(74)98-81-60-85-79(59-78(81)94-77-40-23-25-42-84(77)99-86-57-73(56-83(98)89(86)94)95(67-29-14-8-15-30-67)68-31-16-9-17-32-68)93-76-39-22-24-41-80(76)97(70-35-20-11-21-36-70)82-55-72(58-87(100-85)88(82)93)96(69-33-18-10-19-34-69)71-53-47-62(48-54-71)61-27-12-7-13-28-61/h7-72H,1-6H3;7-64H,1-6H3;7-60H,1-6H3.
What are the key properties of 18-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(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-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(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-[2,6-bis(4-tert-butylphenyl)phenyl]-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 4262.51 g/mol, XLogP of 71.92, 37 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[2,6-bis(4-tert-butylphenyl)phenyl]-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-[2,6-bis(4-tert-butylphenyl)phenyl]-15-N,15-N,25-N,28-tetraphenyl-25-N-(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-[2,6-bis(4-tert-butylphenyl)phenyl]-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 167674443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).