C270H179N5S5Si4 — CID 160986362
bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;(3-carbazol-9-ylphenyl)-(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-[3-(3-triphenylen-2-ylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 160986362) has the molecular formula C270H179N5S5Si4 and a molecular weight of 3766.12 g/mol. Its IUPAC name is bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;(3-carbazol-9-ylphenyl)-(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-[3-(3-triphenylen-2-ylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.
| Compound Name | bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;(3-carbazol-9-ylphenyl)-(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-[3-(3-triphenylen-2-ylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene |
|---|---|
| PubChem CID | 160986362 |
| Molecular Formula | C270H179N5S5Si4 |
| Molecular Weight | 3766.12 g/mol |
| Exact Mass | 3762.18 |
| IUPAC Name | bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;(3-carbazol-9-ylphenyl)-(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-[3-(3-triphenylen-2-ylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene |
| SMILES | c1cc(-c2cccc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccc6c(c5)c5cccc7c8ccccc8n6c75)c4)c3)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3c2sc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2cccc(-c3cccc4c3sc3ccccc34)c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1 |
| InChI | InChI=1S/C48H33NSSi.C48H29N.C48H32S2Si.2C42H29NSSi.C42H27N/c1-3-18-36(19-4-1)51(37-20-5-2-6-21-37,38-22-13-16-34(32-38)40-27-15-28-44-43-26-9-12-31-47(43)50-48(40)44)39-23-14-17-35(33-39)49-45-29-10-7-24-41(45)42-25-8-11-30-46(42)49;1-2-17-38-36(15-1)37-16-3-4-18-39(37)43-27-34(23-24-40(38)43)32-13-9-11-30(25-32)31-12-10-14-33(26-31)35-28-44-41-19-5-7-21-46(41)49-47-22-8-6-20-42(47)45(29-35)48(44)49;1-3-17-35(18-4-1)51(36-19-5-2-6-20-36,37-21-11-15-33(31-37)39-25-13-27-43-41-23-7-9-29-45(41)49-47(39)43)38-22-12-16-34(32-38)40-26-14-28-44-42-24-8-10-30-46(42)50-48(40)44;1-3-16-31(17-4-1)45(32-18-5-2-6-19-32,41-28-14-24-37-36-23-9-12-27-40(36)44-42(37)41)33-20-13-15-30(29-33)43-38-25-10-7-21-34(38)35-22-8-11-26-39(35)43;1-3-14-31(15-4-1)45(32-16-5-2-6-17-32,41-25-13-21-37-36-20-9-12-24-40(36)44-42(37)41)33-28-26-30(27-29-33)43-38-22-10-7-18-34(38)35-19-8-11-23-39(35)43;1-2-9-28(10-3-1)29-19-21-30(22-20-29)31-11-6-12-32(25-31)33-13-7-14-34(26-33)35-23-24-41-39(27-35)38-17-8-16-37-36-15-4-5-18-40(36)43(41)42(37)38/h1-33H;1-29H;1-32H;2*1-29H;1-27H |
| InChIKey | TUALCWSHYFPWTN-UHFFFAOYSA-N |
| XLogP | 63.19 |
| TPSA | 23.61 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 284 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3766.12 |
| LogP ≤ 5 | 63.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
|---|