2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C260H250B4Br4ClN25O16Si11 — CID 158030192

IUPAC2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc(N3c4ccccc4[Si](C)(C)c4ccccc43)ccc2-c2ccc(N3c4ccccc4[Si](C)(C)c4ccccc43)cc2B2OC(C)(C)C(C)(C)O2)OC1(C)C.C[Si]1(C)c2ccccc2Cc2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3-c3ncncn3)c(-c3ncncn3)c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3Br)c(Br)c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3N)c(N)c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)c2ccccc21.Clc1ncncn1.O=[N+]([O-])c1cc(Br)ccc1-c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C52H58B2N2O4Si2.C46H38N8Si2.C40H34Br2N2Si2.C40H34N4O4Si2.C40H38N4Si2.C15H16Si.C12H24B2O4.C12H6Br2N2O4.C3H2ClN3/c1-49(2)50(3,4)58-53(57-49)39-33-35(55-41-21-13-17-25-45(41)61(9,10)46-26-18-14-22-42(46)55)29-31-37(39)38-32-30-36(34-40(38)54-59-51(5,6)52(7,8)60-54)56-43-23-15-19-27-47(43)62(11,12)48-28-20-16-24-44(48)56;1-55(2)41-17-9-5-13-37(41)53(38-14-6-10-18-42(38)55)31-21-23-33(35(25-31)45-49-27-47-28-50-45)34-24-22-32(26-36(34)46-51-29-48-30-52-46)54-39-15-7-11-19-43(39)56(3,4)44-20-12-8-16-40(44)54;1-45(2)37-17-9-5-13-33(37)43(34-14-6-10-18-38(34)45)27-21-23-29(31(41)25-27)30-24-22-28(26-32(30)42)44-35-15-7-11-19-39(35)46(3,4)40-20-12-8-16-36(40)44;1-49(2)37-17-9-5-13-31(37)41(32-14-6-10-18-38(32)49)27-21-23-29(35(25-27)43(45)46)30-24-22-28(26-36(30)44(47)48)42-33-15-7-11-19-39(33)50(3,4)40-20-12-8-16-34(40)42;1-45(2)37-17-9-5-13-33(37)43(34-14-6-10-18-38(34)45)27-21-23-29(31(41)25-27)30-24-22-28(26-32(30)42)44-35-15-7-11-19-39(35)46(3,4)40-20-12-8-16-36(40)44;1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-7-1-3-9(11(5-7)15(17)18)10-4-2-8(14)6-12(10)16(19)20;4-3-6-1-5-2-7-3/h13-34H,1-12H3;5-30H,1-4H3;5-26H,1-4H3;5-26H,1-4H3;5-26H,41-42H2,1-4H3;3-10H,11H2,1-2H3;1-8H3;1-6H;1-2H
InChIKeyFHBYOKFJKBXFCD-UHFFFAOYSA-N
MW4688.28 g/mol
LogP53.52
Rot. Bonds25

About 2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158030192) has the molecular formula C260H250B4Br4ClN25O16Si11 and a molecular weight of 4688.28 g/mol. Its IUPAC name is 2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID158030192
Molecular FormulaC260H250B4Br4ClN25O16Si11
Molecular Weight4688.28 g/mol
Exact Mass4680.38
IUPAC Name2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc(N3c4ccccc4[Si](C)(C)c4ccccc43)ccc2-c2ccc(N3c4ccccc4[Si](C)(C)c4ccccc43)cc2B2OC(C)(C)C(C)(C)O2)OC1(C)C.C[Si]1(C)c2ccccc2Cc2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3-c3ncncn3)c(-c3ncncn3)c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3Br)c(Br)c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3N)c(N)c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)c2ccccc21.Clc1ncncn1.O=[N+]([O-])c1cc(Br)ccc1-c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C52H58B2N2O4Si2.C46H38N8Si2.C40H34Br2N2Si2.C40H34N4O4Si2.C40H38N4Si2.C15H16Si.C12H24B2O4.C12H6Br2N2O4.C3H2ClN3/c1-49(2)50(3,4)58-53(57-49)39-33-35(55-41-21-13-17-25-45(41)61(9,10)46-26-18-14-22-42(46)55)29-31-37(39)38-32-30-36(34-40(38)54-59-51(5,6)52(7,8)60-54)56-43-23-15-19-27-47(43)62(11,12)48-28-20-16-24-44(48)56;1-55(2)41-17-9-5-13-37(41)53(38-14-6-10-18-42(38)55)31-21-23-33(35(25-31)45-49-27-47-28-50-45)34-24-22-32(26-36(34)46-51-29-48-30-52-46)54-39-15-7-11-19-43(39)56(3,4)44-20-12-8-16-40(44)54;1-45(2)37-17-9-5-13-33(37)43(34-14-6-10-18-38(34)45)27-21-23-29(31(41)25-27)30-24-22-28(26-32(30)42)44-35-15-7-11-19-39(35)46(3,4)40-20-12-8-16-36(40)44;1-49(2)37-17-9-5-13-31(37)41(32-14-6-10-18-38(32)49)27-21-23-29(35(25-27)43(45)46)30-24-22-28(26-36(30)44(47)48)42-33-15-7-11-19-39(33)50(3,4)40-20-12-8-16-34(40)42;1-45(2)37-17-9-5-13-33(37)43(34-14-6-10-18-38(34)45)27-21-23-29(31(41)25-27)30-24-22-28(26-32(30)42)44-35-15-7-11-19-39(35)46(3,4)40-20-12-8-16-36(40)44;1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-7-1-3-9(11(5-7)15(17)18)10-4-2-8(14)6-12(10)16(19)20;4-3-6-1-5-2-7-3/h13-34H,1-12H3;5-30H,1-4H3;5-26H,1-4H3;5-26H,1-4H3;5-26H,41-42H2,1-4H3;3-10H,11H2,1-2H3;1-8H3;1-6H;1-2H
InChIKeyFHBYOKFJKBXFCD-UHFFFAOYSA-N
XLogP53.52
TPSA446.85 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds25
Heavy Atoms321
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004688.28
LogP ≤ 553.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

Analyze 2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

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beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane
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4-(5-bromo-2-nitrophenyl)-1H-indene;2,4-dibromo-1-nitrobenzene;2-(1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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4-bromo-1-(3-fluorophenyl)-2-nitrobenzene;4-bromo-1-iodo-2-nitrobenzene;(3-fluorophenyl)boronic acid;2-[4-(3-fluorophenyl)-3-nitrophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;4-iodo-5-methyl-1,2-oxazole
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5-(9,9-dimethylacridin-10-yl)-2-phenylisoindole-1,3-dione;5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione;5-phenoxazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione
CID 158097074
3-bromo-11H-benzo[a]fluorene;3-bromo-11,11-dimethylbenzo[a]fluorene;2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[a]fluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 167693101
2-bromo-11,11-dimethyl-5H-[1]benzosilolo[3,2-b]carbazole;2-bromo-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole;(5,5-dimethylbenzo[b][1]benzosilol-3-yl)boronic acid;11,11-dimethyl-5H-[1]benzosilolo[3,2-b]carbazole;5,5-dimethyl-3-(2-nitrophenyl)benzo[b][1]benzosilole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9H-fluorene
CID 158822321
1-bromo-2-nitrobenzene;3-bromopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;heptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene;3-(2-nitrophenyl)pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4,4,5,5-tetramethyl-2-(3-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-1,3,2-dioxaborolane;triphenylphosphane
CID 159448070

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158030192) is 2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cc(N3c4ccccc4[Si](C)(C)c4ccccc43)ccc2-c2ccc(N3c4ccccc4[Si](C)(C)c4ccccc43)cc2B2OC(C)(C)C(C)(C)O2)OC1(C)C.C[Si]1(C)c2ccccc2Cc2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3-c3ncncn3)c(-c3ncncn3)c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3Br)c(Br)c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3N)c(N)c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)c2ccccc21.Clc1ncncn1.O=[N+]([O-])c1cc(Br)ccc1-c1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is FHBYOKFJKBXFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H58B2N2O4Si2.C46H38N8Si2.C40H34Br2N2Si2.C40H34N4O4Si2.C40H38N4Si2.C15H16Si.C12H24B2O4.C12H6Br2N2O4.C3H2ClN3/c1-49(2)50(3,4)58-53(57-49)39-33-35(55-41-21-13-17-25-45(41)61(9,10)46-26-18-14-22-42(46)55)29-31-37(39)38-32-30-36(34-40(38)54-59-51(5,6)52(7,8)60-54)56-43-23-15-19-27-47(43)62(11,12)48-28-20-16-24-44(48)56;1-55(2)41-17-9-5-13-37(41)53(38-14-6-10-18-42(38)55)31-21-23-33(35(25-31)45-49-27-47-28-50-45)34-24-22-32(26-36(34)46-51-29-48-30-52-46)54-39-15-7-11-19-43(39)56(3,4)44-20-12-8-16-40(44)54;1-45(2)37-17-9-5-13-33(37)43(34-14-6-10-18-38(34)45)27-21-23-29(31(41)25-27)30-24-22-28(26-32(30)42)44-35-15-7-11-19-39(35)46(3,4)40-20-12-8-16-36(40)44;1-49(2)37-17-9-5-13-31(37)41(32-14-6-10-18-38(32)49)27-21-23-29(35(25-27)43(45)46)30-24-22-28(26-36(30)44(47)48)42-33-15-7-11-19-39(33)50(3,4)40-20-12-8-16-34(40)42;1-45(2)37-17-9-5-13-33(37)43(34-14-6-10-18-38(34)45)27-21-23-29(31(41)25-27)30-24-22-28(26-32(30)42)44-35-15-7-11-19-39(35)46(3,4)40-20-12-8-16-36(40)44;1-16(2)14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-7-1-3-9(11(5-7)15(17)18)10-4-2-8(14)6-12(10)16(19)20;4-3-6-1-5-2-7-3/h13-34H,1-12H3;5-30H,1-4H3;5-26H,1-4H3;5-26H,1-4H3;5-26H,41-42H2,1-4H3;3-10H,11H2,1-2H3;1-8H3;1-6H;1-2H.
What are the key properties of 2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 4688.28 g/mol, XLogP of 53.52, 25 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)aniline;5-[3-bromo-4-[2-bromo-4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;4-bromo-1-(4-bromo-2-nitrophenyl)-2-nitrobenzene;2-chloro-1,3,5-triazine;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-nitrophenyl]-3-nitrophenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5,5-dimethyl-10H-benzo[b][1]benzosiline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158030192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).