C189H134N6S3 — CID 157275332
N-(7-carbazol-9-yl-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine;N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-2-amine;N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine (PubChem CID 157275332) has the molecular formula C189H134N6S3 and a molecular weight of 2585.39 g/mol. Its IUPAC name is N-(7-carbazol-9-yl-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine;N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-2-amine;N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine.
| Compound Name | N-(7-carbazol-9-yl-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine;N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-2-amine;N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine |
|---|---|
| PubChem CID | 157275332 |
| Molecular Formula | C189H134N6S3 |
| Molecular Weight | 2585.39 g/mol |
| Exact Mass | 2582.98 |
| IUPAC Name | N-(7-carbazol-9-yl-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine;N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-2-amine;N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine |
| SMILES | CC1(C)c2cc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3ccc4c(c3)sc3ccccc34)ccc2C2C=CC(n3c4ccccc4c4ccccc43)=CC21.CC1(C)c2cc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3ccc4sc5ccccc5c4c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.CC1(C)c2cc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3cccc4c3sc3ccccc34)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21 |
| InChI | InChI=1S/2C63H44N2S.C63H46N2S/c1-63(2)56-39-48(32-34-50(56)51-35-33-49(40-57(51)63)65-58-24-12-9-20-52(58)53-21-10-13-25-59(53)65)64(60-26-15-23-55-54-22-11-14-27-61(54)66-62(55)60)47-30-28-43(29-31-47)46-37-44(41-16-5-3-6-17-41)36-45(38-46)42-18-7-4-8-19-42;1-63(2)57-39-49(29-32-51(57)52-33-30-50(40-58(52)63)65-59-22-12-9-19-53(59)54-20-10-13-23-60(54)65)64(48-31-34-62-56(38-48)55-21-11-14-24-61(55)66-62)47-27-25-43(26-28-47)46-36-44(41-15-5-3-6-16-41)35-45(37-46)42-17-7-4-8-18-42;1-63(2)57-38-48(29-32-51(57)52-33-30-49(39-58(52)63)65-59-22-12-9-19-53(59)54-20-10-13-23-60(54)65)64(50-31-34-56-55-21-11-14-24-61(55)66-62(56)40-50)47-27-25-43(26-28-47)46-36-44(41-15-5-3-6-16-41)35-45(37-46)42-17-7-4-8-18-42/h2*3-40H,1-2H3;3-40,52,58H,1-2H3 |
| InChIKey | AZALLIOHKDVPCQ-UHFFFAOYSA-N |
| XLogP | 53.59 |
| TPSA | 24.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 198 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2585.39 |
| LogP ≤ 5 | 53.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |