11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine

C497H372N16S — CID 158435993

IUPAC11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCC(C)(C)c1ccc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)cc1.CC1(C)c2ccccc2-c2c(-c3c4cc(N5c6ccccc6CCc6ccccc65)ccc4c(-c4cccc5ccccc45)c4cc(N5c6ccccc6CCc6ccccc65)ccc34)cccc21.CC1(C)c2ccccc2-c2cccc(-c3c4cc(N5c6ccccc6CCc6ccccc65)ccc4c(-c4cccc5ccccc45)c4cc(N5c6ccccc6CCc6ccccc65)ccc34)c21.Cc1ccc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)cc1.Cc1ccc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)cc1C.Cc1cccc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)c1.Cc1ccccc1-c1c2cc(N3c4ccccc4CCc4ccccc43)ccc2c(-c2cccc3ccccc23)c2cc(N3c4ccccc4CCc4ccccc43)ccc12.c1ccc2c(c1)CCc1ccccc1N2c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3ccc4sc5ccccc5c4c3)c2c1
InChIInChI=1S/2C67H50N2.C64H44N2S.C62H50N2.C60H46N2.3C59H44N2/c1-67(2)59-28-10-9-24-51(59)55-26-16-27-56(66(55)67)65-54-40-38-48(68-60-29-11-4-18-44(60)33-34-45-19-5-12-30-61(45)68)41-57(54)64(52-25-15-22-43-17-3-8-23-50(43)52)53-39-37-49(42-58(53)65)69-62-31-13-6-20-46(62)35-36-47-21-7-14-32-63(47)69;1-67(2)58-27-10-9-24-54(58)66-55(26-16-28-59(66)67)65-53-40-38-48(68-60-29-11-4-18-44(60)33-34-45-19-5-12-30-61(45)68)41-56(53)64(51-25-15-22-43-17-3-8-23-50(43)51)52-39-37-49(42-57(52)65)69-62-31-13-6-20-46(62)35-36-47-21-7-14-32-63(47)69;1-6-20-49-41(14-1)19-13-22-51(49)64-53-36-34-47(65-57-23-8-2-15-42(57)28-29-43-16-3-9-24-58(43)65)39-55(53)63(46-32-37-62-54(38-46)50-21-7-12-27-61(50)67-62)52-35-33-48(40-56(52)64)66-59-25-10-4-17-44(59)30-31-45-18-5-11-26-60(45)66;1-62(2,3)47-33-31-46(32-34-47)60-52-37-35-49(64-58-25-12-7-18-44(58)29-30-45-19-8-13-26-59(45)64)40-55(52)61(51-22-14-20-41-15-4-9-21-50(41)51)53-38-36-48(39-54(53)60)63-56-23-10-5-16-42(56)27-28-43-17-6-11-24-57(43)63;1-39-26-27-46(36-40(39)2)59-51-34-32-48(62-57-24-11-6-17-44(57)30-31-45-18-7-12-25-58(45)62)38-54(51)60(50-21-13-19-41-14-3-8-20-49(41)50)52-35-33-47(37-53(52)59)61-55-22-9-4-15-42(55)28-29-43-16-5-10-23-56(43)61;1-39-15-2-8-22-47(39)58-50-35-33-46(61-56-27-12-6-19-43(56)31-32-44-20-7-13-28-57(44)61)38-53(50)59(49-24-14-21-40-16-3-9-23-48(40)49)51-36-34-45(37-52(51)58)60-54-25-10-4-17-41(54)29-30-42-18-5-11-26-55(42)60;1-39-14-12-21-45(36-39)58-50-34-32-47(61-56-26-10-5-18-43(56)30-31-44-19-6-11-27-57(44)61)38-53(50)59(49-23-13-20-40-15-2-7-22-48(40)49)51-35-33-46(37-52(51)58)60-54-24-8-3-16-41(54)28-29-42-17-4-9-25-55(42)60;1-39-25-27-45(28-26-39)58-50-35-33-47(61-56-23-10-5-16-43(56)31-32-44-17-6-11-24-57(44)61)38-53(50)59(49-20-12-18-40-13-2-7-19-48(40)49)51-36-34-46(37-52(51)58)60-54-21-8-3-14-41(54)29-30-42-15-4-9-22-55(42)60/h2*3-32,37-42H,33-36H2,1-2H3;1-27,32-40H,28-31H2;4-26,31-40H,27-30H2,1-3H3;3-27,32-38H,28-31H2,1-2H3;2-28,33-38H,29-32H2,1H3;2-27,32-38H,28-31H2,1H3;2-28,33-38H,29-32H2,1H3
InChIKeyHCFOBUXKGUQGMF-UHFFFAOYSA-N
MW6600.62 g/mol
LogP134.76
Rot. Bonds32

About 11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine

11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 158435993) has the molecular formula C497H372N16S and a molecular weight of 6600.62 g/mol. Its IUPAC name is 11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID158435993
Molecular FormulaC497H372N16S
Molecular Weight6600.62 g/mol
Exact Mass6594.93
IUPAC Name11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
SMILESCC(C)(C)c1ccc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)cc1.CC1(C)c2ccccc2-c2c(-c3c4cc(N5c6ccccc6CCc6ccccc65)ccc4c(-c4cccc5ccccc45)c4cc(N5c6ccccc6CCc6ccccc65)ccc34)cccc21.CC1(C)c2ccccc2-c2cccc(-c3c4cc(N5c6ccccc6CCc6ccccc65)ccc4c(-c4cccc5ccccc45)c4cc(N5c6ccccc6CCc6ccccc65)ccc34)c21.Cc1ccc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)cc1.Cc1ccc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)cc1C.Cc1cccc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)c1.Cc1ccccc1-c1c2cc(N3c4ccccc4CCc4ccccc43)ccc2c(-c2cccc3ccccc23)c2cc(N3c4ccccc4CCc4ccccc43)ccc12.c1ccc2c(c1)CCc1ccccc1N2c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3ccc4sc5ccccc5c4c3)c2c1
InChIInChI=1S/2C67H50N2.C64H44N2S.C62H50N2.C60H46N2.3C59H44N2/c1-67(2)59-28-10-9-24-51(59)55-26-16-27-56(66(55)67)65-54-40-38-48(68-60-29-11-4-18-44(60)33-34-45-19-5-12-30-61(45)68)41-57(54)64(52-25-15-22-43-17-3-8-23-50(43)52)53-39-37-49(42-58(53)65)69-62-31-13-6-20-46(62)35-36-47-21-7-14-32-63(47)69;1-67(2)58-27-10-9-24-54(58)66-55(26-16-28-59(66)67)65-53-40-38-48(68-60-29-11-4-18-44(60)33-34-45-19-5-12-30-61(45)68)41-56(53)64(51-25-15-22-43-17-3-8-23-50(43)51)52-39-37-49(42-57(52)65)69-62-31-13-6-20-46(62)35-36-47-21-7-14-32-63(47)69;1-6-20-49-41(14-1)19-13-22-51(49)64-53-36-34-47(65-57-23-8-2-15-42(57)28-29-43-16-3-9-24-58(43)65)39-55(53)63(46-32-37-62-54(38-46)50-21-7-12-27-61(50)67-62)52-35-33-48(40-56(52)64)66-59-25-10-4-17-44(59)30-31-45-18-5-11-26-60(45)66;1-62(2,3)47-33-31-46(32-34-47)60-52-37-35-49(64-58-25-12-7-18-44(58)29-30-45-19-8-13-26-59(45)64)40-55(52)61(51-22-14-20-41-15-4-9-21-50(41)51)53-38-36-48(39-54(53)60)63-56-23-10-5-16-42(56)27-28-43-17-6-11-24-57(43)63;1-39-26-27-46(36-40(39)2)59-51-34-32-48(62-57-24-11-6-17-44(57)30-31-45-18-7-12-25-58(45)62)38-54(51)60(50-21-13-19-41-14-3-8-20-49(41)50)52-35-33-47(37-53(52)59)61-55-22-9-4-15-42(55)28-29-43-16-5-10-23-56(43)61;1-39-15-2-8-22-47(39)58-50-35-33-46(61-56-27-12-6-19-43(56)31-32-44-20-7-13-28-57(44)61)38-53(50)59(49-24-14-21-40-16-3-9-23-48(40)49)51-36-34-45(37-52(51)58)60-54-25-10-4-17-41(54)29-30-42-18-5-11-26-55(42)60;1-39-14-12-21-45(36-39)58-50-34-32-47(61-56-26-10-5-18-43(56)30-31-44-19-6-11-27-57(44)61)38-53(50)59(49-23-13-20-40-15-2-7-22-48(40)49)51-35-33-46(37-52(51)58)60-54-24-8-3-16-41(54)28-29-42-17-4-9-25-55(42)60;1-39-25-27-45(28-26-39)58-50-35-33-47(61-56-23-10-5-16-43(56)31-32-44-17-6-11-24-57(44)61)38-53(50)59(49-20-12-18-40-13-2-7-19-48(40)49)51-36-34-46(37-52(51)58)60-54-21-8-3-14-41(54)29-30-42-15-4-9-22-55(42)60/h2*3-32,37-42H,33-36H2,1-2H3;1-27,32-40H,28-31H2;4-26,31-40H,27-30H2,1-3H3;3-27,32-38H,28-31H2,1-2H3;2-28,33-38H,29-32H2,1H3;2-27,32-38H,28-31H2,1H3;2-28,33-38H,29-32H2,1H3
InChIKeyHCFOBUXKGUQGMF-UHFFFAOYSA-N
XLogP134.76
TPSA51.84 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds32
Heavy Atoms514
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006600.62
LogP ≤ 5134.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine (CID 158435993) is 11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine is CC(C)(C)c1ccc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)cc1.CC1(C)c2ccccc2-c2c(-c3c4cc(N5c6ccccc6CCc6ccccc65)ccc4c(-c4cccc5ccccc45)c4cc(N5c6ccccc6CCc6ccccc65)ccc34)cccc21.CC1(C)c2ccccc2-c2cccc(-c3c4cc(N5c6ccccc6CCc6ccccc65)ccc4c(-c4cccc5ccccc45)c4cc(N5c6ccccc6CCc6ccccc65)ccc34)c21.Cc1ccc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)cc1.Cc1ccc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)cc1C.Cc1cccc(-c2c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc23)c1.Cc1ccccc1-c1c2cc(N3c4ccccc4CCc4ccccc43)ccc2c(-c2cccc3ccccc23)c2cc(N3c4ccccc4CCc4ccccc43)ccc12.c1ccc2c(c1)CCc1ccccc1N2c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3ccc4sc5ccccc5c4c3)c2c1.
What is the InChIKey of 11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is HCFOBUXKGUQGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C67H50N2.C64H44N2S.C62H50N2.C60H46N2.3C59H44N2/c1-67(2)59-28-10-9-24-51(59)55-26-16-27-56(66(55)67)65-54-40-38-48(68-60-29-11-4-18-44(60)33-34-45-19-5-12-30-61(45)68)41-57(54)64(52-25-15-22-43-17-3-8-23-50(43)52)53-39-37-49(42-58(53)65)69-62-31-13-6-20-46(62)35-36-47-21-7-14-32-63(47)69;1-67(2)58-27-10-9-24-54(58)66-55(26-16-28-59(66)67)65-53-40-38-48(68-60-29-11-4-18-44(60)33-34-45-19-5-12-30-61(45)68)41-56(53)64(51-25-15-22-43-17-3-8-23-50(43)51)52-39-37-49(42-57(52)65)69-62-31-13-6-20-46(62)35-36-47-21-7-14-32-63(47)69;1-6-20-49-41(14-1)19-13-22-51(49)64-53-36-34-47(65-57-23-8-2-15-42(57)28-29-43-16-3-9-24-58(43)65)39-55(53)63(46-32-37-62-54(38-46)50-21-7-12-27-61(50)67-62)52-35-33-48(40-56(52)64)66-59-25-10-4-17-44(59)30-31-45-18-5-11-26-60(45)66;1-62(2,3)47-33-31-46(32-34-47)60-52-37-35-49(64-58-25-12-7-18-44(58)29-30-45-19-8-13-26-59(45)64)40-55(52)61(51-22-14-20-41-15-4-9-21-50(41)51)53-38-36-48(39-54(53)60)63-56-23-10-5-16-42(56)27-28-43-17-6-11-24-57(43)63;1-39-26-27-46(36-40(39)2)59-51-34-32-48(62-57-24-11-6-17-44(57)30-31-45-18-7-12-25-58(45)62)38-54(51)60(50-21-13-19-41-14-3-8-20-49(41)50)52-35-33-47(37-53(52)59)61-55-22-9-4-15-42(55)28-29-43-16-5-10-23-56(43)61;1-39-15-2-8-22-47(39)58-50-35-33-46(61-56-27-12-6-19-43(56)31-32-44-20-7-13-28-57(44)61)38-53(50)59(49-24-14-21-40-16-3-9-23-48(40)49)51-36-34-45(37-52(51)58)60-54-25-10-4-17-41(54)29-30-42-18-5-11-26-55(42)60;1-39-14-12-21-45(36-39)58-50-34-32-47(61-56-26-10-5-18-43(56)30-31-44-19-6-11-27-57(44)61)38-53(50)59(49-23-13-20-40-15-2-7-22-48(40)49)51-35-33-46(37-52(51)58)60-54-24-8-3-16-41(54)28-29-42-17-4-9-25-55(42)60;1-39-25-27-45(28-26-39)58-50-35-33-47(61-56-23-10-5-16-43(56)31-32-44-17-6-11-24-57(44)61)38-53(50)59(49-20-12-18-40-13-2-7-19-48(40)49)51-36-34-46(37-52(51)58)60-54-21-8-3-14-41(54)29-30-42-15-4-9-22-55(42)60/h2*3-32,37-42H,33-36H2,1-2H3;1-27,32-40H,28-31H2;4-26,31-40H,27-30H2,1-3H3;3-27,32-38H,28-31H2,1-2H3;2-28,33-38H,29-32H2,1H3;2-27,32-38H,28-31H2,1H3;2-28,33-38H,29-32H2,1H3.
What are the key properties of 11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine?
11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 6600.62 g/mol, XLogP of 134.76, 32 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[9-(4-tert-butylphenyl)-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[9-dibenzothiophen-2-yl-6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-1-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(9,9-dimethylfluoren-4-yl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(2-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(3-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine;11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-(4-methylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 158435993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).