C324H202N10O6S4Si — CID 157152033
3-dibenzothiophen-2-yl-9-(10-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-2-yl)carbazole;3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-naphtho[1,2-b][1]benzofuran-3-ylcarbazole;9,9-dimethyl-2-(9-naphtho[2,3-b][1]benzothiol-9-ylcarbazol-3-yl)-10-(9,9'-spirobi[fluorene]-2-yl)acridine;10-(4-naphthalen-1-ylphenyl)-3-(9-naphtho[2,1-b][1]benzofuran-2-ylcarbazol-3-yl)phenoxazine;10-(4-naphthalen-1-ylphenyl)-3-(9-naphtho[2,3-b][1]benzofuran-9-ylcarbazol-3-yl)phenoxazine;3-(9-naphtho[1,2-b][1]benzothiol-3-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine (PubChem CID 157152033) has the molecular formula C324H202N10O6S4Si and a molecular weight of 4487.60 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-9-(10-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-2-yl)carbazole;3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-naphtho[1,2-b][1]benzofuran-3-ylcarbazole;9,9-dimethyl-2-(9-naphtho[2,3-b][1]benzothiol-9-ylcarbazol-3-yl)-10-(9,9'-spirobi[fluorene]-2-yl)acridine;10-(4-naphthalen-1-ylphenyl)-3-(9-naphtho[2,1-b][1]benzofuran-2-ylcarbazol-3-yl)phenoxazine;10-(4-naphthalen-1-ylphenyl)-3-(9-naphtho[2,3-b][1]benzofuran-9-ylcarbazol-3-yl)phenoxazine;3-(9-naphtho[1,2-b][1]benzothiol-3-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine.
| Compound Name | 3-dibenzothiophen-2-yl-9-(10-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-2-yl)carbazole;3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-naphtho[1,2-b][1]benzofuran-3-ylcarbazole;9,9-dimethyl-2-(9-naphtho[2,3-b][1]benzothiol-9-ylcarbazol-3-yl)-10-(9,9'-spirobi[fluorene]-2-yl)acridine;10-(4-naphthalen-1-ylphenyl)-3-(9-naphtho[2,1-b][1]benzofuran-2-ylcarbazol-3-yl)phenoxazine;10-(4-naphthalen-1-ylphenyl)-3-(9-naphtho[2,3-b][1]benzofuran-9-ylcarbazol-3-yl)phenoxazine;3-(9-naphtho[1,2-b][1]benzothiol-3-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine |
|---|---|
| PubChem CID | 157152033 |
| Molecular Formula | C324H202N10O6S4Si |
| Molecular Weight | 4487.60 g/mol |
| Exact Mass | 4483.45 |
| IUPAC Name | 3-dibenzothiophen-2-yl-9-(10-naphthalen-1-ylnaphtho[2,1-b][1]benzofuran-2-yl)carbazole;3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-naphtho[1,2-b][1]benzofuran-3-ylcarbazole;9,9-dimethyl-2-(9-naphtho[2,3-b][1]benzothiol-9-ylcarbazol-3-yl)-10-(9,9'-spirobi[fluorene]-2-yl)acridine;10-(4-naphthalen-1-ylphenyl)-3-(9-naphtho[2,1-b][1]benzofuran-2-ylcarbazol-3-yl)phenoxazine;10-(4-naphthalen-1-ylphenyl)-3-(9-naphtho[2,3-b][1]benzofuran-9-ylcarbazol-3-yl)phenoxazine;3-(9-naphtho[1,2-b][1]benzothiol-3-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine |
| SMILES | CC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc5sc6ccccc6c5cc4c3)cc21.C[Si]1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(ccc5c6ccccc6oc45)c3)cc21.c1ccc(-c2cccc(N3c4ccccc4Sc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(ccc7c8ccccc8sc67)c5)ccc43)c2)cc1.c1ccc2c(-c3ccc4oc5ccc6ccc(-n7c8ccccc8c8cc(-c9ccc%10sc%11ccccc%11c%10c9)ccc87)cc6c5c4c3)cccc2c1.c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc5oc6ccccc6c5cc4c3)ccc1N2c1ccc(-c2cccc3ccccc23)cc1.c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccc5oc6ccccc6c5c4c3)ccc1N2c1ccc(-c2cccc3ccccc23)cc1 |
| InChI | InChI=1S/C68H44N2S.2C56H34N2O2.C52H32N2S2.C50H29NOS.C42H29NOSi/c1-67(2)58-23-11-13-25-63(58)70(46-31-32-50-49-17-5-10-22-57(49)68(59(50)40-46)55-20-8-3-15-47(55)48-16-4-9-21-56(48)68)64-34-29-42(38-60(64)67)41-28-33-62-53(36-41)51-18-6-12-24-61(51)69(62)45-30-27-43-39-66-54(37-44(43)35-45)52-19-7-14-26-65(52)71-66;1-2-12-42-35(10-1)11-9-15-43(42)36-20-26-40(27-21-36)57-50-17-6-8-19-53(50)60-55-33-39(24-30-51(55)57)38-23-29-49-47(32-38)44-13-3-5-16-48(44)58(49)41-28-22-37-25-31-54-56(46(37)34-41)45-14-4-7-18-52(45)59-54;1-2-12-43-35(10-1)11-9-15-44(43)36-20-25-41(26-21-36)57-51-17-6-8-19-54(51)60-56-34-38(24-29-52(56)57)37-23-28-50-47(31-37)45-13-3-5-16-49(45)58(50)42-27-22-39-33-55-48(32-40(39)30-42)46-14-4-7-18-53(46)59-55;1-2-11-33(12-3-1)34-13-10-14-38(29-34)54-47-18-7-9-20-50(47)55-51-32-36(23-28-48(51)54)35-22-27-46-44(31-35)41-15-4-6-17-45(41)53(46)39-24-26-40-37(30-39)21-25-43-42-16-5-8-19-49(42)56-52(40)43;1-2-10-36-30(8-1)9-7-13-37(36)34-19-23-46-43(28-34)50-40-29-35(21-16-31(40)18-24-47(50)52-46)51-44-14-5-3-11-38(44)41-26-32(17-22-45(41)51)33-20-25-49-42(27-33)39-12-4-6-15-48(39)53-49;1-45(2)40-14-8-5-11-33(40)34-19-15-27(25-41(34)45)26-17-22-38-36(24-26)31-9-3-6-12-37(31)43(38)29-18-21-30-28(23-29)16-20-35-32-10-4-7-13-39(32)44-42(30)35/h3-40H,1-2H3;2*1-34H;1-32H;1-29H;3-25H,1-2H3 |
| InChIKey | ALJDXJUWTKERKK-UHFFFAOYSA-N |
| XLogP | 90.79 |
| TPSA | 113.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 345 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4487.60 |
| LogP ≤ 5 | 90.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |