4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile

C350H265F3N22OS2 — CID 164964375

IUPAC4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile
SMILESCC1(C)c2cc(C(F)(F)F)ccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc(C56CC7CC(C5)CC(c5cccc8sc9cc(-c%10ccc(C#N)cc%10)ccc9c58)(C7)C6)cc4)n3)cccc21.CC1(C)c2ccccc2-c2c(-c3cc(-c4ccc(C56CC7CC(C5)CC(c5ccc8c(c5)sc5cc(-c9ccc(C#N)cc9)ccc58)(C7)C6)cc4)cc(-c4ccccc4)n3)cccc21.N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(C34CC5CC(CC(c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc9cccc(-c%10ccccc%10)c9c8)n7)cc6)(C5)C3)C4)c2)cc1.N#Cc1ccc(-c2ccc(-c3ccc(C45CC6CC(C4)CC(c4ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c7cccnc47)(C6)C5)cc3)c3ccccc23)cc1.N#Cc1ccc(-n2c3ccccc3c3ccc(C45CC6CC(CC(c7ccc(-c8cc(-c9ccc%10ccccc%10c9)nc(-c9ccccc9)n8)cc7)(C6)C4)C5)cc32)cc1.N#Cc1cccc2c(-c3cccc(C45CC6CC(CC(c7ccc(-c8cc(-c9ccccc9)nc(-c9cccc%10oc%11ccccc%11c9%10)n8)cc7)(C6)C4)C5)c3)cccc12
InChIInChI=1S/C61H45N5.C61H48N2S.C60H45F3N4S.C58H44N4.C55H42N4.C55H41N3O/c62-37-40-14-18-44(19-15-40)51-29-52(45-20-16-41(38-63)17-21-45)31-54(30-51)61-35-42-28-43(36-61)34-60(33-42,39-61)53-26-24-49(25-27-53)58-64-57(48-10-5-2-6-11-48)65-59(66-58)50-23-22-47-12-7-13-55(56(47)32-50)46-8-3-1-4-9-46;1-59(2)52-13-7-6-11-50(52)58-51(12-8-14-53(58)59)55-29-45(28-54(63-55)43-9-4-3-5-10-43)42-19-22-46(23-20-42)60-32-39-27-40(33-60)35-61(34-39,37-60)47-24-26-49-48-25-21-44(30-56(48)64-57(49)31-47)41-17-15-38(36-62)16-18-41;1-57(2)47-11-6-10-46(52(47)44-25-23-43(28-49(44)57)60(61,62)63)56-66-54(39-8-4-3-5-9-39)65-55(67-56)40-18-21-42(22-19-40)58-29-36-26-37(30-58)32-59(31-36,34-58)48-12-7-13-50-53(48)45-24-20-41(27-51(45)68-50)38-16-14-35(33-64)15-17-38;59-36-38-17-19-41(20-18-38)46-25-26-47(49-15-8-7-14-48(46)49)42-21-23-45(24-22-42)57-32-39-30-40(33-57)35-58(34-39,37-57)52-28-27-50(51-16-9-29-60-55(51)52)54-31-53(43-10-3-1-4-11-43)61-56(62-54)44-12-5-2-6-13-44;56-34-36-14-23-46(24-15-36)59-51-13-7-6-12-47(51)48-25-22-45(28-52(48)59)55-32-37-26-38(33-55)31-54(30-37,35-55)44-20-18-40(19-21-44)49-29-50(58-53(57-49)41-9-2-1-3-10-41)43-17-16-39-8-4-5-11-42(39)27-43;56-33-40-13-7-18-45-43(16-8-17-44(40)45)39-12-6-14-42(27-39)55-31-35-26-36(32-55)30-54(29-35,34-55)41-24-22-38(23-25-41)49-28-48(37-10-2-1-3-11-37)57-53(58-49)47-19-9-21-51-52(47)46-15-4-5-20-50(46)59-51/h1-27,29-32,42-43H,28,33-36,39H2;3-26,28-31,39-40H,27,32-35,37H2,1-2H3;3-25,27-28,36-37H,26,29-32,34H2,1-2H3;1-29,31,39-40H,30,32-35,37H2;1-25,27-29,37-38H,26,30-33,35H2;1-25,27-28,35-36H,26,29-32,34H2
InChIKeyCGTYZQHCTLKODD-UHFFFAOYSA-N
MW4916.25 g/mol
LogP87.96
Rot. Bonds39

About 4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile

4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile (PubChem CID 164964375) has the molecular formula C350H265F3N22OS2 and a molecular weight of 4916.25 g/mol. Its IUPAC name is 4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile
PubChem CID164964375
Molecular FormulaC350H265F3N22OS2
Molecular Weight4916.25 g/mol
Exact Mass4912.08
IUPAC Name4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile
SMILESCC1(C)c2cc(C(F)(F)F)ccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc(C56CC7CC(C5)CC(c5cccc8sc9cc(-c%10ccc(C#N)cc%10)ccc9c58)(C7)C6)cc4)n3)cccc21.CC1(C)c2ccccc2-c2c(-c3cc(-c4ccc(C56CC7CC(C5)CC(c5ccc8c(c5)sc5cc(-c9ccc(C#N)cc9)ccc58)(C7)C6)cc4)cc(-c4ccccc4)n3)cccc21.N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(C34CC5CC(CC(c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc9cccc(-c%10ccccc%10)c9c8)n7)cc6)(C5)C3)C4)c2)cc1.N#Cc1ccc(-c2ccc(-c3ccc(C45CC6CC(C4)CC(c4ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c7cccnc47)(C6)C5)cc3)c3ccccc23)cc1.N#Cc1ccc(-n2c3ccccc3c3ccc(C45CC6CC(CC(c7ccc(-c8cc(-c9ccc%10ccccc%10c9)nc(-c9ccccc9)n8)cc7)(C6)C4)C5)cc32)cc1.N#Cc1cccc2c(-c3cccc(C45CC6CC(CC(c7ccc(-c8cc(-c9ccccc9)nc(-c9cccc%10oc%11ccccc%11c9%10)n8)cc7)(C6)C4)C5)c3)cccc12
InChIInChI=1S/C61H45N5.C61H48N2S.C60H45F3N4S.C58H44N4.C55H42N4.C55H41N3O/c62-37-40-14-18-44(19-15-40)51-29-52(45-20-16-41(38-63)17-21-45)31-54(30-51)61-35-42-28-43(36-61)34-60(33-42,39-61)53-26-24-49(25-27-53)58-64-57(48-10-5-2-6-11-48)65-59(66-58)50-23-22-47-12-7-13-55(56(47)32-50)46-8-3-1-4-9-46;1-59(2)52-13-7-6-11-50(52)58-51(12-8-14-53(58)59)55-29-45(28-54(63-55)43-9-4-3-5-10-43)42-19-22-46(23-20-42)60-32-39-27-40(33-60)35-61(34-39,37-60)47-24-26-49-48-25-21-44(30-56(48)64-57(49)31-47)41-17-15-38(36-62)16-18-41;1-57(2)47-11-6-10-46(52(47)44-25-23-43(28-49(44)57)60(61,62)63)56-66-54(39-8-4-3-5-9-39)65-55(67-56)40-18-21-42(22-19-40)58-29-36-26-37(30-58)32-59(31-36,34-58)48-12-7-13-50-53(48)45-24-20-41(27-51(45)68-50)38-16-14-35(33-64)15-17-38;59-36-38-17-19-41(20-18-38)46-25-26-47(49-15-8-7-14-48(46)49)42-21-23-45(24-22-42)57-32-39-30-40(33-57)35-58(34-39,37-57)52-28-27-50(51-16-9-29-60-55(51)52)54-31-53(43-10-3-1-4-11-43)61-56(62-54)44-12-5-2-6-13-44;56-34-36-14-23-46(24-15-36)59-51-13-7-6-12-47(51)48-25-22-45(28-52(48)59)55-32-37-26-38(33-55)31-54(30-37,35-55)44-20-18-40(19-21-44)49-29-50(58-53(57-49)41-9-2-1-3-10-41)43-17-16-39-8-4-5-11-42(39)27-43;56-33-40-13-7-18-45-43(16-8-17-44(40)45)39-12-6-14-42(27-39)55-31-35-26-36(32-55)30-54(29-35,34-55)41-24-22-38(23-25-41)49-28-48(37-10-2-1-3-11-37)57-53(58-49)47-19-9-21-51-52(47)46-15-4-5-20-50(46)59-51/h1-27,29-32,42-43H,28,33-36,39H2;3-26,28-31,39-40H,27,32-35,37H2,1-2H3;3-25,27-28,36-37H,26,29-32,34H2,1-2H3;1-29,31,39-40H,30,32-35,37H2;1-25,27-29,37-38H,26,30-33,35H2;1-25,27-28,35-36H,26,29-32,34H2
InChIKeyCGTYZQHCTLKODD-UHFFFAOYSA-N
XLogP87.96
TPSA365.06 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms378
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004916.25
LogP ≤ 587.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

18-(4-Dibenzofuran-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-22-fluoro-5-isoquinolin-5-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 134276447
3-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-2-ethenylpent-4-enenitrile;4-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-2-methylidenehex-5-enenitrile;tetrakis(2-dibenzofuran-1-yl-4,6-diphenyl-1,3,5-triazine);4-[(5E)-6-fluorohexa-1,5-dien-3-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 157080266
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 157256819
CID 157340844
CID 157340844
4-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[4-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[4-[4-cyano-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-[4-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile
CID 157994465
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 158556508
CID 158911710
CID 158911710
3-[2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]benzonitrile;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2-isocyanophenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158951677
4-[4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-cyanophenyl]phenyl]-3-(trifluoromethyl)benzonitrile;4-[3-[5-cyano-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[3-[5-cyano-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-methylbenzonitrile
CID 159043250
3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole
CID 159290113
2'-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]spiro[fluorene-9,9'-xanthene];2-(4-dibenzothiophen-3-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;7-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 159358717
9-[4-[4-(4-Dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]carbazole;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)carbazole;9-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)carbazole;8-[4-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 160034025

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile?
The IUPAC name of 4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile (CID 164964375) is 4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile is CC1(C)c2cc(C(F)(F)F)ccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc(C56CC7CC(C5)CC(c5cccc8sc9cc(-c%10ccc(C#N)cc%10)ccc9c58)(C7)C6)cc4)n3)cccc21.CC1(C)c2ccccc2-c2c(-c3cc(-c4ccc(C56CC7CC(C5)CC(c5ccc8c(c5)sc5cc(-c9ccc(C#N)cc9)ccc58)(C7)C6)cc4)cc(-c4ccccc4)n3)cccc21.N#Cc1ccc(-c2cc(-c3ccc(C#N)cc3)cc(C34CC5CC(CC(c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc9cccc(-c%10ccccc%10)c9c8)n7)cc6)(C5)C3)C4)c2)cc1.N#Cc1ccc(-c2ccc(-c3ccc(C45CC6CC(C4)CC(c4ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)c7cccnc47)(C6)C5)cc3)c3ccccc23)cc1.N#Cc1ccc(-n2c3ccccc3c3ccc(C45CC6CC(CC(c7ccc(-c8cc(-c9ccc%10ccccc%10c9)nc(-c9ccccc9)n8)cc7)(C6)C4)C5)cc32)cc1.N#Cc1cccc2c(-c3cccc(C45CC6CC(CC(c7ccc(-c8cc(-c9ccccc9)nc(-c9cccc%10oc%11ccccc%11c9%10)n8)cc7)(C6)C4)C5)c3)cccc12.
What is the InChIKey of 4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile?
The InChIKey is CGTYZQHCTLKODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N5.C61H48N2S.C60H45F3N4S.C58H44N4.C55H42N4.C55H41N3O/c62-37-40-14-18-44(19-15-40)51-29-52(45-20-16-41(38-63)17-21-45)31-54(30-51)61-35-42-28-43(36-61)34-60(33-42,39-61)53-26-24-49(25-27-53)58-64-57(48-10-5-2-6-11-48)65-59(66-58)50-23-22-47-12-7-13-55(56(47)32-50)46-8-3-1-4-9-46;1-59(2)52-13-7-6-11-50(52)58-51(12-8-14-53(58)59)55-29-45(28-54(63-55)43-9-4-3-5-10-43)42-19-22-46(23-20-42)60-32-39-27-40(33-60)35-61(34-39,37-60)47-24-26-49-48-25-21-44(30-56(48)64-57(49)31-47)41-17-15-38(36-62)16-18-41;1-57(2)47-11-6-10-46(52(47)44-25-23-43(28-49(44)57)60(61,62)63)56-66-54(39-8-4-3-5-9-39)65-55(67-56)40-18-21-42(22-19-40)58-29-36-26-37(30-58)32-59(31-36,34-58)48-12-7-13-50-53(48)45-24-20-41(27-51(45)68-50)38-16-14-35(33-64)15-17-38;59-36-38-17-19-41(20-18-38)46-25-26-47(49-15-8-7-14-48(46)49)42-21-23-45(24-22-42)57-32-39-30-40(33-57)35-58(34-39,37-57)52-28-27-50(51-16-9-29-60-55(51)52)54-31-53(43-10-3-1-4-11-43)61-56(62-54)44-12-5-2-6-13-44;56-34-36-14-23-46(24-15-36)59-51-13-7-6-12-47(51)48-25-22-45(28-52(48)59)55-32-37-26-38(33-55)31-54(30-37,35-55)44-20-18-40(19-21-44)49-29-50(58-53(57-49)41-9-2-1-3-10-41)43-17-16-39-8-4-5-11-42(39)27-43;56-33-40-13-7-18-45-43(16-8-17-44(40)45)39-12-6-14-42(27-39)55-31-35-26-36(32-55)30-54(29-35,34-55)41-24-22-38(23-25-41)49-28-48(37-10-2-1-3-11-37)57-53(58-49)47-19-9-21-51-52(47)46-15-4-5-20-50(46)59-51/h1-27,29-32,42-43H,28,33-36,39H2;3-26,28-31,39-40H,27,32-35,37H2,1-2H3;3-25,27-28,36-37H,26,29-32,34H2,1-2H3;1-29,31,39-40H,30,32-35,37H2;1-25,27-29,37-38H,26,30-33,35H2;1-25,27-28,35-36H,26,29-32,34H2.
What are the key properties of 4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile?
4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile has a molecular weight of 4916.25 g/mol, XLogP of 87.96, 39 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 164964375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).