C306H183N11OS13 — CID 159552400
9-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole;9-[7-(7-carbazol-9-yldibenzothiophen-3-yl)dibenzothiophen-3-yl]carbazole;9-[8-[8-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;8-(8-carbazol-9-yldibenzothiophen-2-yl)-N,N-diphenyldibenzothiophen-2-amine;N,N-diphenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine;9-[8-(8-phenyldibenzothiophen-2-yl)dibenzothiophen-2-yl]carbazole (PubChem CID 159552400) has the molecular formula C306H183N11OS13 and a molecular weight of 4446.78 g/mol. Its IUPAC name is 9-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole;9-[7-(7-carbazol-9-yldibenzothiophen-3-yl)dibenzothiophen-3-yl]carbazole;9-[8-[8-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;8-(8-carbazol-9-yldibenzothiophen-2-yl)-N,N-diphenyldibenzothiophen-2-amine;N,N-diphenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine;9-[8-(8-phenyldibenzothiophen-2-yl)dibenzothiophen-2-yl]carbazole.
| Compound Name | 9-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole;9-[7-(7-carbazol-9-yldibenzothiophen-3-yl)dibenzothiophen-3-yl]carbazole;9-[8-[8-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;8-(8-carbazol-9-yldibenzothiophen-2-yl)-N,N-diphenyldibenzothiophen-2-amine;N,N-diphenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine;9-[8-(8-phenyldibenzothiophen-2-yl)dibenzothiophen-2-yl]carbazole |
|---|---|
| PubChem CID | 159552400 |
| Molecular Formula | C306H183N11OS13 |
| Molecular Weight | 4446.78 g/mol |
| Exact Mass | 4442.10 |
| IUPAC Name | 9-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole;9-[7-(7-carbazol-9-yldibenzothiophen-3-yl)dibenzothiophen-3-yl]carbazole;9-[8-[8-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;8-(8-carbazol-9-yldibenzothiophen-2-yl)-N,N-diphenyldibenzothiophen-2-amine;N,N-diphenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine;9-[8-(8-phenyldibenzothiophen-2-yl)dibenzothiophen-2-yl]carbazole |
| SMILES | c1ccc(-c2ccc3sc4ccc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4ccc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4ccc(-c5ccc6sc7ccc(N(c8ccccc8)c8ccccc8)cc7c6c5)cc4c3c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)sc1cc(-c3ccc4c(c3)sc3cc(-n5c6ccccc6c6ccccc65)ccc34)ccc12.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4ccc5sc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)cc3c2c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccc(-c4ccc5sc6ccc(-c7ccc8sc9ccc(-c%10ccc%11sc%12ccc(-n%13c%14ccccc%14c%14ccccc%14%13)cc%12c%11c%10)cc9c8c7)cc6c5c4)cc3c2c1 |
| InChI | InChI=1S/C72H40N2S4.C48H28N2OS.C48H28N2S2.C48H30N2S2.C48H32N2S2.C42H25NS2/c1-5-13-61-49(9-1)50-10-2-6-14-62(50)73(61)47-23-31-71-59(39-47)57-37-45(21-29-69(57)77-71)43-19-27-67-55(35-43)53-33-41(17-25-65(53)75-67)42-18-26-66-54(34-42)56-36-44(20-28-68(56)76-66)46-22-30-70-58(38-46)60-40-48(24-32-72(60)78-70)74-63-15-7-3-11-51(63)52-12-4-8-16-64(52)74;1-5-13-41-33(9-1)34-10-2-6-14-42(34)49(41)31-19-22-46-38(27-31)37-25-29(17-21-45(37)51-46)30-18-23-47-39(26-30)40-28-32(20-24-48(40)52-47)50-43-15-7-3-11-35(43)36-12-4-8-16-44(36)50;1-5-13-41-33(9-1)34-10-2-6-14-42(34)49(41)31-19-23-39-37-21-17-29(25-45(37)51-47(39)27-31)30-18-22-38-40-24-20-32(28-48(40)52-46(38)26-30)50-43-15-7-3-11-35(43)36-12-4-8-16-44(36)50;1-3-11-33(12-4-1)49(34-13-5-2-6-14-34)35-21-25-47-41(29-35)39-27-31(19-23-45(39)51-47)32-20-24-46-40(28-32)42-30-36(22-26-48(42)52-46)50-43-17-9-7-15-37(43)38-16-8-10-18-44(38)50;1-5-13-35(14-6-1)49(36-15-7-2-8-16-36)39-23-27-47-43(31-39)41-29-33(21-25-45(41)51-47)34-22-26-46-42(30-34)44-32-40(24-28-48(44)52-46)50(37-17-9-3-10-18-37)38-19-11-4-12-20-38;1-2-8-26(9-3-1)27-14-18-39-33(22-27)34-23-28(15-19-40(34)44-39)29-16-20-41-35(24-29)36-25-30(17-21-42(36)45-41)43-37-12-6-4-10-31(37)32-11-5-7-13-38(32)43/h1-40H;2*1-28H;1-30H;1-32H;1-25H |
| InChIKey | MFODDJDDWJKOSQ-UHFFFAOYSA-N |
| XLogP | 92.99 |
| TPSA | 62.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 331 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4446.78 |
| LogP ≤ 5 | 92.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |