C517H350N16S4 — CID 157148125
N-[4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-3-amine;N-[4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-[4-[3-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]-N,N-diphenylaniline;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenyl]aniline (PubChem CID 157148125) has the molecular formula C517H350N16S4 and a molecular weight of 6914.87 g/mol. Its IUPAC name is N-[4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-3-amine;N-[4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-[4-[3-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]-N,N-diphenylaniline;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenyl]aniline.
| Compound Name | N-[4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-3-amine;N-[4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-[4-[3-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]-N,N-diphenylaniline;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenyl]aniline |
|---|---|
| PubChem CID | 157148125 |
| Molecular Formula | C517H350N16S4 |
| Molecular Weight | 6914.87 g/mol |
| Exact Mass | 6908.68 |
| IUPAC Name | N-[4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-3-amine;N-[4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylphenanthren-2-amine;N-[4-[3-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]-N,N-diphenylaniline;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N,4-diphenylaniline;N,4-diphenyl-N-[4-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenyl]aniline |
| SMILES | CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)sc5ccccc56)c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc21.CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)cc3)ccc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)cc3)cc2)cc1.c1ccc(N(c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)sc4ccccc45)c3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1.c1ccc(N(c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)c3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc2)cc1 |
| InChI | InChI=1S/C70H50N2.C69H48N2S.C67H44N2S.C67H44N2.C67H46N2.C61H42N2.C60H40N2S.C56H36N2S/c1-69(2)63-30-15-12-27-57(63)60-45-55(38-40-64(60)69)71(53-25-10-5-11-26-53)54-36-33-47(34-37-54)48-19-18-20-49(43-48)50-35-42-68-62(44-50)59-29-14-17-32-67(59)72(68)56-39-41-66-61(46-56)58-28-13-16-31-65(58)70(66,51-21-6-3-7-22-51)52-23-8-4-9-24-52;1-69(2)63-25-12-9-22-57(63)61-43-54(34-36-64(61)69)70(56-40-51(45-16-5-3-6-17-45)39-52(41-56)46-18-7-4-8-19-46)53-31-28-47(29-32-53)48-20-15-21-49(38-48)50-30-37-66-62(42-50)58-23-10-13-26-65(58)71(66)55-33-35-60-59-24-11-14-27-67(59)72-68(60)44-55;1-4-19-49(20-5-1)67(50-21-6-2-7-22-50)61-28-13-10-25-55(61)56-38-36-54(44-62(56)67)68(51-23-8-3-9-24-51)52-34-31-45(32-35-52)46-17-16-18-47(41-46)48-33-39-64-59(42-48)57-26-11-14-29-63(57)69(64)53-37-40-66-60(43-53)58-27-12-15-30-65(58)70-66;1-3-16-45(17-4-1)46-30-35-52(36-31-46)68(51-20-5-2-6-21-51)53-37-32-47(33-38-53)48-18-15-19-49(42-48)50-34-41-66-60(43-50)59-25-10-14-29-65(59)69(66)54-39-40-58-57-24-9-13-28-63(57)67(64(58)44-54)61-26-11-7-22-55(61)56-23-8-12-27-62(56)67;1-5-18-47(19-6-1)48-32-37-56(38-33-48)68(55-26-11-4-12-27-55)57-39-34-49(35-40-57)50-20-17-21-51(44-50)52-36-43-66-62(45-52)60-29-14-16-31-65(60)69(66)58-41-42-64-61(46-58)59-28-13-15-30-63(59)67(64,53-22-7-2-8-23-53)54-24-9-3-10-25-54;1-5-20-47(21-6-1)61(48-22-7-2-8-23-48)57-30-15-13-28-53(57)55-42-52(37-38-58(55)61)63-59-31-16-14-29-54(59)56-41-46(34-39-60(56)63)45-19-17-18-44(40-45)43-32-35-51(36-33-43)62(49-24-9-3-10-25-49)50-26-11-4-12-27-50;1-3-12-41(13-4-1)43-22-29-49(30-23-43)61(50-31-24-44(25-32-50)42-14-5-2-6-15-42)51-33-26-45(27-34-51)46-16-11-17-47(38-46)48-28-36-58-55(39-48)53-18-7-9-20-57(53)62(58)52-35-37-60-56(40-52)54-19-8-10-21-59(54)63-60;1-2-14-43(15-3-1)57(45-28-30-48-42(34-45)22-21-38-11-4-5-16-47(38)48)44-26-23-37(24-27-44)39-12-10-13-40(33-39)41-25-32-54-52(35-41)49-17-6-8-19-53(49)58(54)46-29-31-51-50-18-7-9-20-55(50)59-56(51)36-46/h3-46H,1-2H3;3-44H,1-2H3;1-44H;1-44H;1-46H;1-42H;1-40H;1-36H |
| InChIKey | AKYBFYCXRNBZTM-UHFFFAOYSA-N |
| XLogP | 140.89 |
| TPSA | 65.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 537 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6914.87 |
| LogP ≤ 5 | 140.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |