C401H250N18O6S10 — CID 158531949
5-[8-[8-[3,5-bis(N-phenylanilino)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[7-(7-carbazol-9-yldibenzothiophen-3-yl)dibenzothiophen-3-yl]carbazole;9-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]carbazole;8-(8-carbazol-9-yldibenzothiophen-2-yl)-N,N-diphenyldibenzothiophen-2-amine;9-(8-dibenzofuran-2-yldibenzofuran-2-yl)carbazole;N,N-diphenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine;9-[8-[8-(4-methylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;5-[8-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole (PubChem CID 158531949) has the molecular formula C401H250N18O6S10 and a molecular weight of 5737.20 g/mol. Its IUPAC name is 5-[8-[8-[3,5-bis(N-phenylanilino)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[7-(7-carbazol-9-yldibenzothiophen-3-yl)dibenzothiophen-3-yl]carbazole;9-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]carbazole;8-(8-carbazol-9-yldibenzothiophen-2-yl)-N,N-diphenyldibenzothiophen-2-amine;9-(8-dibenzofuran-2-yldibenzofuran-2-yl)carbazole;N,N-diphenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine;9-[8-[8-(4-methylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;5-[8-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole.
| Compound Name | 5-[8-[8-[3,5-bis(N-phenylanilino)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[7-(7-carbazol-9-yldibenzothiophen-3-yl)dibenzothiophen-3-yl]carbazole;9-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]carbazole;8-(8-carbazol-9-yldibenzothiophen-2-yl)-N,N-diphenyldibenzothiophen-2-amine;9-(8-dibenzofuran-2-yldibenzofuran-2-yl)carbazole;N,N-diphenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine;9-[8-[8-(4-methylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;5-[8-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole |
|---|---|
| PubChem CID | 158531949 |
| Molecular Formula | C401H250N18O6S10 |
| Molecular Weight | 5737.20 g/mol |
| Exact Mass | 5731.70 |
| IUPAC Name | 5-[8-[8-[3,5-bis(N-phenylanilino)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-[7-(7-carbazol-9-yldibenzothiophen-3-yl)dibenzothiophen-3-yl]carbazole;9-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]carbazole;8-(8-carbazol-9-yldibenzothiophen-2-yl)-N,N-diphenyldibenzothiophen-2-amine;9-(8-dibenzofuran-2-yldibenzofuran-2-yl)carbazole;N,N-diphenyl-8-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-2-amine;9-[8-[8-(4-methylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;5-[8-(8-pyrido[3,2-b]indol-5-yldibenzothiophen-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole |
| SMILES | Cc1ccc(-c2ccc3oc4ccc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)cc1.c1ccc(N(c2ccccc2)c2cc(-c3ccc4oc5ccc(-c6ccc7oc8ccc(-c9cc(N(c%10ccccc%10)c%10ccccc%10)cc(N(c%10ccccc%10)c%10ccccc%10)c9)cc8c7c6)cc5c4c3)cc(N(c3ccccc3)c3ccccc3)c2)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-c1ccc2sc3ccc(-c4ccc5sc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)cc3c2c1.c1ccc2c(c1)c1ncccc1n2-c1ccc2sc3ccc(-c4ccc5sc6ccc(-n7c8ccccc8c8ncccc87)cc6c5c4)cc3c2c1.c1ccc2c(c1)oc1ccc(-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc12 |
| InChI | InChI=1S/C84H58N4O2.2C48H28N2S2.C48H30N2S2.C48H32N2S2.C46H26N4S2.C43H27NO2.C36H21NO2/c1-9-25-65(26-10-1)85(66-27-11-2-12-28-66)73-49-63(50-74(57-73)86(67-29-13-3-14-30-67)68-31-15-4-16-32-68)61-43-47-83-79(55-61)77-53-59(41-45-81(77)89-83)60-42-46-82-78(54-60)80-56-62(44-48-84(80)90-82)64-51-75(87(69-33-17-5-18-34-69)70-35-19-6-20-36-70)58-76(52-64)88(71-37-21-7-22-38-71)72-39-23-8-24-40-72;1-5-13-41-33(9-1)34-10-2-6-14-42(34)49(41)31-19-23-47-39(27-31)37-25-29(17-21-45(37)51-47)30-18-22-46-38(26-30)40-28-32(20-24-48(40)52-46)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;1-3-9-37-31(7-1)45-39(11-5-21-47-45)49(37)29-15-19-43-35(25-29)33-23-27(13-17-41(33)51-43)28-14-18-42-34(24-28)36-26-30(16-20-44(36)52-42)50-38-10-4-2-8-32(38)46-40(50)12-6-22-48-46;1-26-10-12-27(13-11-26)28-14-18-40-34(22-28)35-23-29(15-19-41(35)45-40)30-16-20-42-36(24-30)37-25-31(17-21-43(37)46-42)44-38-8-4-2-6-32(38)33-7-3-5-9-39(33)44;1-4-10-31-25(7-1)26-8-2-5-11-32(26)37(31)24-15-18-36-30(21-24)29-20-23(14-17-35(29)39-36)22-13-16-34-28(19-22)27-9-3-6-12-33(27)38-34/h1-58H;2*1-28H;1-30H;1-32H;1-26H;2-25H,1H3;1-21H |
| InChIKey | HNMFILCTDXOWTE-UHFFFAOYSA-N |
| XLogP | 118.17 |
| TPSA | 171.67 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 435 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5737.20 |
| LogP ≤ 5 | 118.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 34 |