5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline

C400H312N12Si12 — CID 158788245

IUPAC5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4c(-c4ccc5ccccc5c4)c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4cccc5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc34)cc21.C[Si]1(C)c2ccccc2N(c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4cccc5ccccc45)c3c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c3c2)c2ccccc21
InChIInChI=1S/C73H58N2Si2.C68H52N2Si2.C67H54N2Si2.C66H50N2Si2.C64H50N2Si2.C62H48N2Si2/c1-73(2)61-43-50(47-20-8-7-9-21-47)34-38-55(61)56-39-35-52(44-62(56)73)72-58-41-37-53(74-63-24-12-16-28-67(63)76(3,4)68-29-17-13-25-64(68)74)45-59(58)71(51-33-32-48-22-10-11-23-49(48)42-51)57-40-36-54(46-60(57)72)75-65-26-14-18-30-69(65)77(5,6)70-31-19-15-27-66(70)75;1-71(2)63-31-13-9-27-59(63)69(60-28-10-14-32-64(60)71)51-38-40-56-57(43-51)67(50-24-17-23-48(42-50)49-36-35-45-19-5-6-21-47(45)41-49)55-39-37-52(44-58(55)68(56)54-26-18-22-46-20-7-8-25-53(46)54)70-61-29-11-15-33-65(61)72(3,4)66-34-16-12-30-62(66)70;1-67(2)55-25-10-9-23-48(55)49-37-34-44(40-56(49)67)65-51-38-35-46(69-59-28-13-17-32-63(59)71(5,6)64-33-18-14-29-60(64)69)42-54(51)66(50-24-19-21-43-20-7-8-22-47(43)50)52-39-36-45(41-53(52)65)68-57-26-11-15-30-61(57)70(3,4)62-31-16-12-27-58(62)68;1-69(2)61-32-15-11-28-57(61)67(58-29-12-16-33-62(58)69)45-37-39-53-55(41-45)65(51-27-19-22-43-20-5-7-23-47(43)51)52-38-36-46(68-59-30-13-17-34-63(59)70(3,4)64-35-18-14-31-60(64)68)42-56(52)66(53)54-40-44-21-6-8-24-48(44)49-25-9-10-26-50(49)54;1-67(2)59-29-14-10-25-55(59)65(56-26-11-15-30-60(56)67)47-38-40-52-53(41-47)63(46-35-33-44(34-36-46)43-19-6-5-7-20-43)51-39-37-48(42-54(51)64(52)50-24-18-22-45-21-8-9-23-49(45)50)66-57-27-12-16-31-61(57)68(3,4)62-32-17-13-28-58(62)66;1-65(2)57-28-13-9-24-53(57)63(54-25-10-14-29-58(54)65)45-35-37-50-51(39-45)61(44-33-32-41-18-5-6-20-43(41)38-44)49-36-34-46(40-52(49)62(50)48-23-17-21-42-19-7-8-22-47(42)48)64-55-26-11-15-30-59(55)66(3,4)60-31-16-12-27-56(60)64/h7-46H,1-6H3;5-44H,1-4H3;7-42H,1-6H3;5-42H,1-4H3;5-42H,1-4H3;5-40H,1-4H3
InChIKeyIRYJHPVERFEHAB-UHFFFAOYSA-N
MW5624.01 g/mol
LogP96.38
Rot. Bonds27

About 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline

5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (PubChem CID 158788245) has the molecular formula C400H312N12Si12 and a molecular weight of 5624.01 g/mol. Its IUPAC name is 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
PubChem CID158788245
Molecular FormulaC400H312N12Si12
Molecular Weight5624.01 g/mol
Exact Mass5618.20
IUPAC Name5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4c(-c4ccc5ccccc5c4)c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4cccc5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc34)cc21.C[Si]1(C)c2ccccc2N(c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4cccc5ccccc45)c3c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c3c2)c2ccccc21
InChIInChI=1S/C73H58N2Si2.C68H52N2Si2.C67H54N2Si2.C66H50N2Si2.C64H50N2Si2.C62H48N2Si2/c1-73(2)61-43-50(47-20-8-7-9-21-47)34-38-55(61)56-39-35-52(44-62(56)73)72-58-41-37-53(74-63-24-12-16-28-67(63)76(3,4)68-29-17-13-25-64(68)74)45-59(58)71(51-33-32-48-22-10-11-23-49(48)42-51)57-40-36-54(46-60(57)72)75-65-26-14-18-30-69(65)77(5,6)70-31-19-15-27-66(70)75;1-71(2)63-31-13-9-27-59(63)69(60-28-10-14-32-64(60)71)51-38-40-56-57(43-51)67(50-24-17-23-48(42-50)49-36-35-45-19-5-6-21-47(45)41-49)55-39-37-52(44-58(55)68(56)54-26-18-22-46-20-7-8-25-53(46)54)70-61-29-11-15-33-65(61)72(3,4)66-34-16-12-30-62(66)70;1-67(2)55-25-10-9-23-48(55)49-37-34-44(40-56(49)67)65-51-38-35-46(69-59-28-13-17-32-63(59)71(5,6)64-33-18-14-29-60(64)69)42-54(51)66(50-24-19-21-43-20-7-8-22-47(43)50)52-39-36-45(41-53(52)65)68-57-26-11-15-30-61(57)70(3,4)62-31-16-12-27-58(62)68;1-69(2)61-32-15-11-28-57(61)67(58-29-12-16-33-62(58)69)45-37-39-53-55(41-45)65(51-27-19-22-43-20-5-7-23-47(43)51)52-38-36-46(68-59-30-13-17-34-63(59)70(3,4)64-35-18-14-31-60(64)68)42-56(52)66(53)54-40-44-21-6-8-24-48(44)49-25-9-10-26-50(49)54;1-67(2)59-29-14-10-25-55(59)65(56-26-11-15-30-60(56)67)47-38-40-52-53(41-47)63(46-35-33-44(34-36-46)43-19-6-5-7-20-43)51-39-37-48(42-54(51)64(52)50-24-18-22-45-21-8-9-23-49(45)50)66-57-27-12-16-31-61(57)68(3,4)62-32-17-13-28-58(62)66;1-65(2)57-28-13-9-24-53(57)63(54-25-10-14-29-58(54)65)45-35-37-50-51(39-45)61(44-33-32-41-18-5-6-20-43(41)38-44)49-36-34-46(40-52(49)62(50)48-23-17-21-42-19-7-8-22-47(42)48)64-55-26-11-15-30-59(55)66(3,4)60-31-16-12-27-56(60)64/h7-46H,1-6H3;5-44H,1-4H3;7-42H,1-6H3;5-42H,1-4H3;5-42H,1-4H3;5-40H,1-4H3
InChIKeyIRYJHPVERFEHAB-UHFFFAOYSA-N
XLogP96.38
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms424
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005624.01
LogP ≤ 596.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline with MolForge

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Related Compounds

5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-[4-(9,9-dimethylfluoren-3-yl)phenyl]-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 157367055
2,10-bis(9,9-dimethylfluoren-2-yl)-9-(3-naphthalen-2-ylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene;2-naphthalen-2-yl-9-phenanthren-9-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 162026897
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159441922
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;2,10-dinaphthalen-1-yl-9-phenylanthracene;10-naphthalen-1-yl-2,9-diphenylanthracene;10-naphthalen-2-yl-2,9-diphenylanthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene
CID 159206127
2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;2,9-bis(9,9-dimethylfluoren-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-methylphenyl)-2-(4-phenylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene;9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-2-yl-9,10-di(phenanthren-9-yl)anthracene
CID 158885833
2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;9,10-diphenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(10-naphthalen-1-ylanthracen-9-yl)-9,10-diphenylanthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene
CID 160908060
2,10-bis(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenanthren-9-yl-10-(4-phenylphenyl)anthracene
CID 162005752
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracene;2-(10-naphthalen-2-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-phenanthren-9-yl-9,10-bis(4-phenylphenyl)anthracene;2,9,10-tris(4-phenylphenyl)anthracene
CID 158293217
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59219940
2,9-bis(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-1-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-phenylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2,10-bis(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenanthren-9-yl-10-(4-phenylphenyl)anthracene
CID 157481974
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-1-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-phenylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2,10-bis(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenanthren-9-yl-10-(4-phenylphenyl)anthracene
CID 159535482
2-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2,10-bis(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenanthren-9-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 159460636

Frequently Asked Questions

What is the IUPAC name of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The IUPAC name of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (CID 158788245) is 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4c(-c4ccc5ccccc5c4)c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4cccc5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc34)cc21.C[Si]1(C)c2ccccc2N(c2ccc3c(-c4cc5ccccc5c5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4cccc5ccccc45)c3c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6[Si](C)(C)c6ccccc65)ccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c3c2)c2ccccc21.
What is the InChIKey of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The InChIKey is IRYJHPVERFEHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H58N2Si2.C68H52N2Si2.C67H54N2Si2.C66H50N2Si2.C64H50N2Si2.C62H48N2Si2/c1-73(2)61-43-50(47-20-8-7-9-21-47)34-38-55(61)56-39-35-52(44-62(56)73)72-58-41-37-53(74-63-24-12-16-28-67(63)76(3,4)68-29-17-13-25-64(68)74)45-59(58)71(51-33-32-48-22-10-11-23-49(48)42-51)57-40-36-54(46-60(57)72)75-65-26-14-18-30-69(65)77(5,6)70-31-19-15-27-66(70)75;1-71(2)63-31-13-9-27-59(63)69(60-28-10-14-32-64(60)71)51-38-40-56-57(43-51)67(50-24-17-23-48(42-50)49-36-35-45-19-5-6-21-47(45)41-49)55-39-37-52(44-58(55)68(56)54-26-18-22-46-20-7-8-25-53(46)54)70-61-29-11-15-33-65(61)72(3,4)66-34-16-12-30-62(66)70;1-67(2)55-25-10-9-23-48(55)49-37-34-44(40-56(49)67)65-51-38-35-46(69-59-28-13-17-32-63(59)71(5,6)64-33-18-14-29-60(64)69)42-54(51)66(50-24-19-21-43-20-7-8-22-47(43)50)52-39-36-45(41-53(52)65)68-57-26-11-15-30-61(57)70(3,4)62-31-16-12-27-58(62)68;1-69(2)61-32-15-11-28-57(61)67(58-29-12-16-33-62(58)69)45-37-39-53-55(41-45)65(51-27-19-22-43-20-5-7-23-47(43)51)52-38-36-46(68-59-30-13-17-34-63(59)70(3,4)64-35-18-14-31-60(64)68)42-56(52)66(53)54-40-44-21-6-8-24-48(44)49-25-9-10-26-50(49)54;1-67(2)59-29-14-10-25-55(59)65(56-26-11-15-30-60(56)67)47-38-40-52-53(41-47)63(46-35-33-44(34-36-46)43-19-6-5-7-20-43)51-39-37-48(42-54(51)64(52)50-24-18-22-45-21-8-9-23-49(45)50)66-57-27-12-16-31-61(57)68(3,4)62-32-17-13-28-58(62)66;1-65(2)57-28-13-9-24-53(57)63(54-25-10-14-29-58(54)65)45-35-37-50-51(39-45)61(44-33-32-41-18-5-6-20-43(41)38-44)49-36-34-46(40-52(49)62(50)48-23-17-21-42-19-7-8-22-47(42)48)64-55-26-11-15-30-59(55)66(3,4)60-31-16-12-27-56(60)64/h7-46H,1-6H3;5-44H,1-4H3;7-42H,1-6H3;5-42H,1-4H3;5-42H,1-4H3;5-40H,1-4H3.
What are the key properties of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline has a molecular weight of 5624.01 g/mol, XLogP of 96.38, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 158788245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).