4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine

C456H308N24S4 — CID 167682189

IUPAC4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)C4c6ccccc6[C@H]5c5cc(-c6nc(-c7ccccc7)cc(-c7cccc8c7-c7ccccc7C8(C)C)n6)ccc54)n3)cccc21.CC1(C)c2ccccc2-c2c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc6c(c5)C5c7ccccc7[C@H]6c6cc(-c7nc(-c8ccccc8)cc(-c8ccc(-c9cccc%10c9-c9ccccc9C%10(C)C)cc8)n7)ccc65)n4)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)C4c6ccccc6[C@H]5c5cc(-c6nc(-c7ccccc7)cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)n6)ccc54)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc6c(c5)C5c7ccccc7[C@H]6c6cc(-c7nc(-c8ccccc8)cc(-c8ccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)n7)ccc65)n4)cc3)cc21.c1ccc(-c2cc(-c3cccc(-c4cccc5sc6ccccc6c45)c3)nc(-c3ccc4c(c3)C3c5ccccc5[C@H]4c4cc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7cccc8sc9ccccc9c78)c6)n5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccc4sc5ccccc5c34)nc(-c3ccc4c(c3)C3c5ccccc5[C@H]4c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6-c6cccc7sc8ccccc8c67)n5)ccc43)n2)cc1
InChIInChI=1S/2C82H58N4.2C76H46N4S2.2C70H50N4/c1-81(2)67-29-15-13-25-63(67)77-57(27-17-31-69(77)81)49-33-37-53(38-34-49)73-47-71(51-19-7-5-8-20-51)83-79(85-73)55-41-43-61-65(45-55)75-59-23-11-12-24-60(59)76(61)66-46-56(42-44-62(66)75)80-84-72(52-21-9-6-10-22-52)48-74(86-80)54-39-35-50(36-40-54)58-28-18-32-70-78(58)64-26-14-16-30-68(64)82(70,3)4;1-81(2)69-25-15-13-21-59(69)61-39-35-55(45-71(61)81)49-27-31-53(32-28-49)75-47-73(51-17-7-5-8-18-51)83-79(85-75)57-37-41-65-67(43-57)77-63-23-11-12-24-64(63)78(65)68-44-58(38-42-66(68)77)80-84-74(52-19-9-6-10-20-52)48-76(86-80)54-33-29-50(30-34-54)56-36-40-62-60-22-14-16-26-70(60)82(3,4)72(62)46-56;1-3-19-45(20-4-1)63-43-65(51-25-9-7-23-49(51)53-31-17-35-69-73(53)59-29-13-15-33-67(59)81-69)79-75(77-63)47-37-39-57-61(41-47)71-55-27-11-12-28-56(55)72(57)62-42-48(38-40-58(62)71)76-78-64(46-21-5-2-6-22-46)44-66(80-76)52-26-10-8-24-50(52)54-32-18-36-70-74(54)60-30-14-16-34-68(60)82-70;1-3-17-45(18-4-1)63-43-65(49-23-13-21-47(39-49)53-29-15-33-69-73(53)59-27-9-11-31-67(59)81-69)79-75(77-63)51-35-37-57-61(41-51)71-55-25-7-8-26-56(55)72(57)62-42-52(36-38-58(62)71)76-78-64(46-19-5-2-6-20-46)44-66(80-76)50-24-14-22-48(40-50)54-30-16-34-70-74(54)60-28-10-12-32-68(60)82-70;1-69(2)55-29-15-13-25-49(55)65-51(27-17-31-57(65)69)61-39-59(41-19-7-5-8-20-41)71-67(73-61)43-33-35-47-53(37-43)63-45-23-11-12-24-46(45)64(47)54-38-44(34-36-48(54)63)68-72-60(42-21-9-6-10-22-42)40-62(74-68)52-28-18-32-58-66(52)50-26-14-16-30-56(50)70(58,3)4;1-69(2)57-25-15-13-21-47(57)49-31-27-43(37-59(49)69)63-39-61(41-17-7-5-8-18-41)71-67(73-63)45-29-33-53-55(35-45)65-51-23-11-12-24-52(51)66(53)56-36-46(30-34-54(56)65)68-72-62(42-19-9-6-10-20-42)40-64(74-68)44-28-32-50-48-22-14-16-26-58(48)70(3,4)60(50)38-44/h5-48,75-76H,1-4H3;5-48,77-78H,1-4H3;2*1-44,71-72H;5-40,63-64H,1-4H3;5-40,65-66H,1-4H3/t75-,76?;77-,78?;2*71-,72?;63-,64?;65-,66?/m111111/s1
InChIKeyVRXGKFZKTWYWMH-ONGHTCCASA-N
MW6251.92 g/mol
LogP114.79
Rot. Bonds44

About 4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine

4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine (PubChem CID 167682189) has the molecular formula C456H308N24S4 and a molecular weight of 6251.92 g/mol. Its IUPAC name is 4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
PubChem CID167682189
Molecular FormulaC456H308N24S4
Molecular Weight6251.92 g/mol
Exact Mass6246.37
IUPAC Name4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)C4c6ccccc6[C@H]5c5cc(-c6nc(-c7ccccc7)cc(-c7cccc8c7-c7ccccc7C8(C)C)n6)ccc54)n3)cccc21.CC1(C)c2ccccc2-c2c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc6c(c5)C5c7ccccc7[C@H]6c6cc(-c7nc(-c8ccccc8)cc(-c8ccc(-c9cccc%10c9-c9ccccc9C%10(C)C)cc8)n7)ccc65)n4)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)C4c6ccccc6[C@H]5c5cc(-c6nc(-c7ccccc7)cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)n6)ccc54)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc6c(c5)C5c7ccccc7[C@H]6c6cc(-c7nc(-c8ccccc8)cc(-c8ccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)n7)ccc65)n4)cc3)cc21.c1ccc(-c2cc(-c3cccc(-c4cccc5sc6ccccc6c45)c3)nc(-c3ccc4c(c3)C3c5ccccc5[C@H]4c4cc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7cccc8sc9ccccc9c78)c6)n5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccc4sc5ccccc5c34)nc(-c3ccc4c(c3)C3c5ccccc5[C@H]4c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6-c6cccc7sc8ccccc8c67)n5)ccc43)n2)cc1
InChIInChI=1S/2C82H58N4.2C76H46N4S2.2C70H50N4/c1-81(2)67-29-15-13-25-63(67)77-57(27-17-31-69(77)81)49-33-37-53(38-34-49)73-47-71(51-19-7-5-8-20-51)83-79(85-73)55-41-43-61-65(45-55)75-59-23-11-12-24-60(59)76(61)66-46-56(42-44-62(66)75)80-84-72(52-21-9-6-10-22-52)48-74(86-80)54-39-35-50(36-40-54)58-28-18-32-70-78(58)64-26-14-16-30-68(64)82(70,3)4;1-81(2)69-25-15-13-21-59(69)61-39-35-55(45-71(61)81)49-27-31-53(32-28-49)75-47-73(51-17-7-5-8-18-51)83-79(85-75)57-37-41-65-67(43-57)77-63-23-11-12-24-64(63)78(65)68-44-58(38-42-66(68)77)80-84-74(52-19-9-6-10-20-52)48-76(86-80)54-33-29-50(30-34-54)56-36-40-62-60-22-14-16-26-70(60)82(3,4)72(62)46-56;1-3-19-45(20-4-1)63-43-65(51-25-9-7-23-49(51)53-31-17-35-69-73(53)59-29-13-15-33-67(59)81-69)79-75(77-63)47-37-39-57-61(41-47)71-55-27-11-12-28-56(55)72(57)62-42-48(38-40-58(62)71)76-78-64(46-21-5-2-6-22-46)44-66(80-76)52-26-10-8-24-50(52)54-32-18-36-70-74(54)60-30-14-16-34-68(60)82-70;1-3-17-45(18-4-1)63-43-65(49-23-13-21-47(39-49)53-29-15-33-69-73(53)59-27-9-11-31-67(59)81-69)79-75(77-63)51-35-37-57-61(41-51)71-55-25-7-8-26-56(55)72(57)62-42-52(36-38-58(62)71)76-78-64(46-19-5-2-6-20-46)44-66(80-76)50-24-14-22-48(40-50)54-30-16-34-70-74(54)60-28-10-12-32-68(60)82-70;1-69(2)55-29-15-13-25-49(55)65-51(27-17-31-57(65)69)61-39-59(41-19-7-5-8-20-41)71-67(73-61)43-33-35-47-53(37-43)63-45-23-11-12-24-46(45)64(47)54-38-44(34-36-48(54)63)68-72-60(42-21-9-6-10-22-42)40-62(74-68)52-28-18-32-58-66(52)50-26-14-16-30-56(50)70(58,3)4;1-69(2)57-25-15-13-21-47(57)49-31-27-43(37-59(49)69)63-39-61(41-17-7-5-8-18-41)71-67(73-63)45-29-33-53-55(35-45)65-51-23-11-12-24-52(51)66(53)56-36-46(30-34-54(56)65)68-72-62(42-19-9-6-10-20-42)40-64(74-68)44-28-32-50-48-22-14-16-26-58(48)70(3,4)60(50)38-44/h5-48,75-76H,1-4H3;5-48,77-78H,1-4H3;2*1-44,71-72H;5-40,63-64H,1-4H3;5-40,65-66H,1-4H3/t75-,76?;77-,78?;2*71-,72?;63-,64?;65-,66?/m111111/s1
InChIKeyVRXGKFZKTWYWMH-ONGHTCCASA-N
XLogP114.79
TPSA309.36 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds44
Heavy Atoms484
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006251.92
LogP ≤ 5114.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine with MolForge

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Related Compounds

4-(3-dibenzothiophen-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585757
4-(2-dibenzothiophen-1-ylphenyl)-2-[11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
CID 165150782
4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
CID 165151041
4-(4-dibenzothiophen-1-ylphenyl)-2-[11-[4-(4-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
CID 165151179
2-[11-[6-(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165151275
4-(4-dibenzothiophen-1-ylphenyl)-6-[11-[6-(4-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine
CID 165150832
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[4-[8-(4-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 134199161
4-dibenzothiophen-1-yl-6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176794688
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779288
2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 159439837
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-5-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585779
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585075

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine?
The IUPAC name of 4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine (CID 167682189) is 4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine.
What is the SMILES notation for 4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine?
The canonical SMILES for 4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine is CC1(C)c2ccccc2-c2c(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)C4c6ccccc6[C@H]5c5cc(-c6nc(-c7ccccc7)cc(-c7cccc8c7-c7ccccc7C8(C)C)n6)ccc54)n3)cccc21.CC1(C)c2ccccc2-c2c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc6c(c5)C5c7ccccc7[C@H]6c6cc(-c7nc(-c8ccccc8)cc(-c8ccc(-c9cccc%10c9-c9ccccc9C%10(C)C)cc8)n7)ccc65)n4)cc3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)C4c6ccccc6[C@H]5c5cc(-c6nc(-c7ccccc7)cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)n6)ccc54)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc6c(c5)C5c7ccccc7[C@H]6c6cc(-c7nc(-c8ccccc8)cc(-c8ccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)n7)ccc65)n4)cc3)cc21.c1ccc(-c2cc(-c3cccc(-c4cccc5sc6ccccc6c45)c3)nc(-c3ccc4c(c3)C3c5ccccc5[C@H]4c4cc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7cccc8sc9ccccc9c78)c6)n5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccc4sc5ccccc5c34)nc(-c3ccc4c(c3)C3c5ccccc5[C@H]4c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6-c6cccc7sc8ccccc8c67)n5)ccc43)n2)cc1.
What is the InChIKey of 4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine?
The InChIKey is VRXGKFZKTWYWMH-ONGHTCCASA-N. The full InChI is InChI=1S/2C82H58N4.2C76H46N4S2.2C70H50N4/c1-81(2)67-29-15-13-25-63(67)77-57(27-17-31-69(77)81)49-33-37-53(38-34-49)73-47-71(51-19-7-5-8-20-51)83-79(85-73)55-41-43-61-65(45-55)75-59-23-11-12-24-60(59)76(61)66-46-56(42-44-62(66)75)80-84-72(52-21-9-6-10-22-52)48-74(86-80)54-39-35-50(36-40-54)58-28-18-32-70-78(58)64-26-14-16-30-68(64)82(70,3)4;1-81(2)69-25-15-13-21-59(69)61-39-35-55(45-71(61)81)49-27-31-53(32-28-49)75-47-73(51-17-7-5-8-18-51)83-79(85-75)57-37-41-65-67(43-57)77-63-23-11-12-24-64(63)78(65)68-44-58(38-42-66(68)77)80-84-74(52-19-9-6-10-20-52)48-76(86-80)54-33-29-50(30-34-54)56-36-40-62-60-22-14-16-26-70(60)82(3,4)72(62)46-56;1-3-19-45(20-4-1)63-43-65(51-25-9-7-23-49(51)53-31-17-35-69-73(53)59-29-13-15-33-67(59)81-69)79-75(77-63)47-37-39-57-61(41-47)71-55-27-11-12-28-56(55)72(57)62-42-48(38-40-58(62)71)76-78-64(46-21-5-2-6-22-46)44-66(80-76)52-26-10-8-24-50(52)54-32-18-36-70-74(54)60-30-14-16-34-68(60)82-70;1-3-17-45(18-4-1)63-43-65(49-23-13-21-47(39-49)53-29-15-33-69-73(53)59-27-9-11-31-67(59)81-69)79-75(77-63)51-35-37-57-61(41-51)71-55-25-7-8-26-56(55)72(57)62-42-52(36-38-58(62)71)76-78-64(46-19-5-2-6-20-46)44-66(80-76)50-24-14-22-48(40-50)54-30-16-34-70-74(54)60-28-10-12-32-68(60)82-70;1-69(2)55-29-15-13-25-49(55)65-51(27-17-31-57(65)69)61-39-59(41-19-7-5-8-20-41)71-67(73-61)43-33-35-47-53(37-43)63-45-23-11-12-24-46(45)64(47)54-38-44(34-36-48(54)63)68-72-60(42-21-9-6-10-22-42)40-62(74-68)52-28-18-32-58-66(52)50-26-14-16-30-56(50)70(58,3)4;1-69(2)57-25-15-13-21-47(57)49-31-27-43(37-59(49)69)63-39-61(41-17-7-5-8-18-41)71-67(73-63)45-29-33-53-55(35-45)65-51-23-11-12-24-52(51)66(53)56-36-46(30-34-54(56)65)68-72-62(42-19-9-6-10-20-42)40-64(74-68)44-28-32-50-48-22-14-16-26-58(48)70(3,4)60(50)38-44/h5-48,75-76H,1-4H3;5-48,77-78H,1-4H3;2*1-44,71-72H;5-40,63-64H,1-4H3;5-40,65-66H,1-4H3/t75-,76?;77-,78?;2*71-,72?;63-,64?;65-,66?/m111111/s1.
What are the key properties of 4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine?
4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine has a molecular weight of 6251.92 g/mol, XLogP of 114.79, 44 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-2-[(1R)-11-[4-(3-dibenzothiophen-1-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-(9,9-dimethylfluoren-4-yl)-2-[(1R)-11-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine;4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-[(1R)-11-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine is sourced from PubChem (CID 167682189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).