C254H170N8S2 — CID 159292909
3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-N-phenyl-N-[3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-[3-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N,5-diphenylthiophen-2-amine;N-phenyl-N-[3-[3-[9-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-yl]phenyl]phenyl]naphthalen-2-amine (PubChem CID 159292909) has the molecular formula C254H170N8S2 and a molecular weight of 3398.34 g/mol. Its IUPAC name is 3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-N-phenyl-N-[3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-[3-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N,5-diphenylthiophen-2-amine;N-phenyl-N-[3-[3-[9-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-yl]phenyl]phenyl]naphthalen-2-amine.
| Compound Name | 3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-N-phenyl-N-[3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-[3-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N,5-diphenylthiophen-2-amine;N-phenyl-N-[3-[3-[9-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-yl]phenyl]phenyl]naphthalen-2-amine |
|---|---|
| PubChem CID | 159292909 |
| Molecular Formula | C254H170N8S2 |
| Molecular Weight | 3398.34 g/mol |
| Exact Mass | 3395.30 |
| IUPAC Name | 3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-N-phenyl-N-[3-[3-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-[3-[3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N,5-diphenylthiophen-2-amine;N-phenyl-N-[3-[3-[9-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-yl]phenyl]phenyl]naphthalen-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)c3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)c3)s2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)sc5ccccc56)c4)c3)cc2)cc1.c1ccc(N(c2cccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)c2)c2ccc3ccccc3c2)cc1 |
| InChI | InChI=1S/C70H48N2.C65H44N2S.C65H42N2.C54H36N2S/c1-69(2)61-29-11-6-24-53(61)57-37-35-51(43-65(57)69)71(49-21-4-3-5-22-49)50-23-17-20-47(41-50)45-18-16-19-46(40-45)48-34-39-68-60(42-48)59-28-10-15-33-67(59)72(68)52-36-38-58-56-27-9-14-32-64(56)70(66(58)44-52)62-30-12-7-25-54(62)55-26-8-13-31-63(55)70;1-5-19-45(20-6-1)63-39-40-64(68-63)66(52-28-11-4-12-29-52)53-30-18-23-48(42-53)46-21-17-22-47(41-46)49-35-38-62-58(43-49)56-32-14-16-34-61(56)67(62)54-36-37-60-57(44-54)55-31-13-15-33-59(55)65(60,50-24-7-2-8-25-50)51-26-9-3-10-27-51;1-2-21-49(22-3-1)66(51-34-32-43-16-4-5-17-46(43)39-51)50-23-15-20-47(40-50)44-18-14-19-45(38-44)48-33-37-64-58(41-48)56-27-9-13-31-63(56)67(64)52-35-36-62-57(42-52)55-26-8-12-30-61(55)65(62)59-28-10-6-24-53(59)54-25-7-11-29-60(54)65;1-3-13-37(14-4-1)38-25-28-44(29-26-38)55(43-18-5-2-6-19-43)45-20-12-17-41(34-45)39-15-11-16-40(33-39)42-27-32-52-50(35-42)47-21-7-9-23-51(47)56(52)46-30-31-49-48-22-8-10-24-53(48)57-54(49)36-46/h3-44H,1-2H3;1-44H;1-42H;1-36H |
| InChIKey | LAISYHDXXIUFIX-UHFFFAOYSA-N |
| XLogP | 68.62 |
| TPSA | 32.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 264 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3398.34 |
| LogP ≤ 5 | 68.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |