C194H133N5S — CID 162233532
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine (PubChem CID 162233532) has the molecular formula C194H133N5S and a molecular weight of 2566.30 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine.
| Compound Name | N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine |
|---|---|
| PubChem CID | 162233532 |
| Molecular Formula | C194H133N5S |
| Molecular Weight | 2566.30 g/mol |
| Exact Mass | 2564.03 |
| IUPAC Name | N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1 |
| InChI | InChI=1S/C68H46N2.C68H45NS.C58H42N2/c1-5-21-47(22-6-1)67(48-23-7-2-8-24-48)61-33-17-13-29-55(61)57-43-41-53(45-63(57)67)69(51-37-39-52(40-38-51)70-65-35-19-15-31-59(65)60-32-16-20-36-66(60)70)54-42-44-58-56-30-14-18-34-62(56)68(64(58)46-54,49-25-9-3-10-26-49)50-27-11-4-12-28-50;1-5-19-48(20-6-1)67(49-21-7-2-8-22-49)61-30-16-13-27-55(61)57-40-38-53(44-63(57)67)69(52-36-33-46(34-37-52)47-35-42-66-60(43-47)59-29-15-18-32-65(59)70-66)54-39-41-58-56-28-14-17-31-62(56)68(64(58)45-54,50-23-9-3-10-24-50)51-25-11-4-12-26-51;1-57(2)51-25-13-9-21-45(51)47-35-33-43(37-53(47)57)59(41-29-31-42(32-30-41)60-55-27-15-11-23-49(55)50-24-12-16-28-56(50)60)44-34-36-48-46-22-10-14-26-52(46)58(54(48)38-44,39-17-5-3-6-18-39)40-19-7-4-8-20-40/h1-46H;1-45H;3-38H,1-2H3 |
| InChIKey | ZVTJYJXXEVRLIJ-UHFFFAOYSA-N |
| XLogP | 49.82 |
| TPSA | 19.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 200 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2566.30 |
| LogP ≤ 5 | 49.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |