18-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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

C228H146B6N12S9 — CID 167638771

IUPAC18-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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
SMILESc1ccc(-c2c(N3c4cc5c(cc4B4c6ccccc6Sc6cc(N(c7ccccc7)c7ccccc7)cc3c64)B3c4ccccc4N(c4ccccc4)c4cc(N(c6ccccc6)c6ccccc6)cc(c43)S5)ccc3sc4ccccc4c23)cc1.c1ccc(-c2cc3c(cc2N2c4cc5c(cc4B4c6ccccc6Sc6cc(N(c7ccccc7)c7ccccc7)cc2c64)B2c4ccccc4N(c4ccccc4)c4cc(N(c6ccccc6)c6ccccc6)cc(c42)S5)sc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccccc2B4c2cc4c(cc2S3)N(c2cccc3sc5ccccc5c23)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2S3)cc1
InChIInChI=1S/2C78H50B2N4S3.C72H46B2N4S3/c1-7-25-51(26-8-1)60-47-61-59-37-19-23-41-71(59)85-73(61)49-67(60)84-68-50-74-65(48-64(68)80-63-39-21-24-42-72(63)86-75-45-58(44-70(84)78(75)80)82(54-31-13-4-14-32-54)55-33-15-5-16-34-55)79-62-38-20-22-40-66(62)83(56-35-17-6-18-36-56)69-43-57(46-76(87-74)77(69)79)81(52-27-9-2-10-28-52)53-29-11-3-12-30-53;1-7-25-51(26-8-1)75-65(43-44-71-76(75)59-37-19-23-41-69(59)85-71)84-66-50-72-63(49-62(66)80-61-39-21-24-42-70(61)86-73-47-58(46-68(84)78(73)80)82(54-31-13-4-14-32-54)55-33-15-5-16-34-55)79-60-38-20-22-40-64(60)83(56-35-17-6-18-36-56)67-45-57(48-74(87-72)77(67)79)81(52-27-9-2-10-28-52)53-29-11-3-12-30-53;1-6-23-47(24-7-1)75(48-25-8-2-9-26-48)52-41-62-71-69(44-52)81-67-46-61-57(45-58(67)73(71)55-34-17-19-36-59(55)77(62)51-31-14-5-15-32-51)74-56-35-18-21-39-65(56)80-68-43-53(76(49-27-10-3-11-28-49)50-29-12-4-13-30-50)42-63(72(68)74)78(61)60-37-22-40-66-70(60)54-33-16-20-38-64(54)79-66/h2*1-50H;1-46H
InChIKeyOWDCYHFPFMBKJL-UHFFFAOYSA-N
MW3407.23 g/mol
LogP52.90
Rot. Bonds26

About 18-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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 167638771) has the molecular formula C228H146B6N12S9 and a molecular weight of 3407.23 g/mol. Its IUPAC name is 18-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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.

Molecular Properties

Compound Name18-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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 CID167638771
Molecular FormulaC228H146B6N12S9
Molecular Weight3407.23 g/mol
Exact Mass3404.98
IUPAC Name18-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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
SMILESc1ccc(-c2c(N3c4cc5c(cc4B4c6ccccc6Sc6cc(N(c7ccccc7)c7ccccc7)cc3c64)B3c4ccccc4N(c4ccccc4)c4cc(N(c6ccccc6)c6ccccc6)cc(c43)S5)ccc3sc4ccccc4c23)cc1.c1ccc(-c2cc3c(cc2N2c4cc5c(cc4B4c6ccccc6Sc6cc(N(c7ccccc7)c7ccccc7)cc2c64)B2c4ccccc4N(c4ccccc4)c4cc(N(c6ccccc6)c6ccccc6)cc(c42)S5)sc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccccc2B4c2cc4c(cc2S3)N(c2cccc3sc5ccccc5c23)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2S3)cc1
InChIInChI=1S/2C78H50B2N4S3.C72H46B2N4S3/c1-7-25-51(26-8-1)60-47-61-59-37-19-23-41-71(59)85-73(61)49-67(60)84-68-50-74-65(48-64(68)80-63-39-21-24-42-72(63)86-75-45-58(44-70(84)78(75)80)82(54-31-13-4-14-32-54)55-33-15-5-16-34-55)79-62-38-20-22-40-66(62)83(56-35-17-6-18-36-56)69-43-57(46-76(87-74)77(69)79)81(52-27-9-2-10-28-52)53-29-11-3-12-30-53;1-7-25-51(26-8-1)75-65(43-44-71-76(75)59-37-19-23-41-69(59)85-71)84-66-50-72-63(49-62(66)80-61-39-21-24-42-70(61)86-73-47-58(46-68(84)78(73)80)82(54-31-13-4-14-32-54)55-33-15-5-16-34-55)79-60-38-20-22-40-64(60)83(56-35-17-6-18-36-56)67-45-57(48-74(87-72)77(67)79)81(52-27-9-2-10-28-52)53-29-11-3-12-30-53;1-6-23-47(24-7-1)75(48-25-8-2-9-26-48)52-41-62-71-69(44-52)81-67-46-61-57(45-58(67)73(71)55-34-17-19-36-59(55)77(62)51-31-14-5-15-32-51)74-56-35-18-21-39-65(56)80-68-43-53(76(49-27-10-3-11-28-49)50-29-12-4-13-30-50)42-63(72(68)74)78(61)60-37-22-40-66-70(60)54-33-16-20-38-64(54)79-66/h2*1-50H;1-46H
InChIKeyOWDCYHFPFMBKJL-UHFFFAOYSA-N
XLogP52.90
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms255
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003407.23
LogP ≤ 552.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 18-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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 167638771) is 18-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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 c1ccc(-c2c(N3c4cc5c(cc4B4c6ccccc6Sc6cc(N(c7ccccc7)c7ccccc7)cc3c64)B3c4ccccc4N(c4ccccc4)c4cc(N(c6ccccc6)c6ccccc6)cc(c43)S5)ccc3sc4ccccc4c23)cc1.c1ccc(-c2cc3c(cc2N2c4cc5c(cc4B4c6ccccc6Sc6cc(N(c7ccccc7)c7ccccc7)cc2c64)B2c4ccccc4N(c4ccccc4)c4cc(N(c6ccccc6)c6ccccc6)cc(c42)S5)sc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2ccccc2B4c2cc4c(cc2S3)N(c2cccc3sc5ccccc5c23)c2cc(N(c3ccccc3)c3ccccc3)cc3c2B4c2ccccc2S3)cc1.
What is the InChIKey of 18-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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 OWDCYHFPFMBKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C78H50B2N4S3.C72H46B2N4S3/c1-7-25-51(26-8-1)60-47-61-59-37-19-23-41-71(59)85-73(61)49-67(60)84-68-50-74-65(48-64(68)80-63-39-21-24-42-72(63)86-75-45-58(44-70(84)78(75)80)82(54-31-13-4-14-32-54)55-33-15-5-16-34-55)79-62-38-20-22-40-66(62)83(56-35-17-6-18-36-56)69-43-57(46-76(87-74)77(69)79)81(52-27-9-2-10-28-52)53-29-11-3-12-30-53;1-7-25-51(26-8-1)75-65(43-44-71-76(75)59-37-19-23-41-69(59)85-71)84-66-50-72-63(49-62(66)80-61-39-21-24-42-70(61)86-73-47-58(46-68(84)78(73)80)82(54-31-13-4-14-32-54)55-33-15-5-16-34-55)79-60-38-20-22-40-64(60)83(56-35-17-6-18-36-56)67-45-57(48-74(87-72)77(67)79)81(52-27-9-2-10-28-52)53-29-11-3-12-30-53;1-6-23-47(24-7-1)75(48-25-8-2-9-26-48)52-41-62-71-69(44-52)81-67-46-61-57(45-58(67)73(71)55-34-17-19-36-59(55)77(62)51-31-14-5-15-32-51)74-56-35-18-21-39-65(56)80-68-43-53(76(49-27-10-3-11-28-49)50-29-12-4-13-30-50)42-63(72(68)74)78(61)60-37-22-40-66-70(60)54-33-16-20-38-64(54)79-66/h2*1-50H;1-46H.
What are the key properties of 18-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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 3407.23 g/mol, XLogP of 52.90, 26 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 18-dibenzothiophen-1-yl-15-N,15-N,25-N,25-N,28-pentakis-phenyl-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(1-phenyldibenzothiophen-2-yl)-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;15-N,15-N,25-N,25-N,28-pentakis-phenyl-18-(2-phenyldibenzothiophen-3-yl)-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 167638771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).