C68H45N5PdSi2 — CID 162483181
12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+) (PubChem CID 162483181) has the molecular formula C68H45N5PdSi2 and a molecular weight of 1094.74 g/mol. Its IUPAC name is 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+).
| Compound Name | 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+) |
|---|---|
| PubChem CID | 162483181 |
| Molecular Formula | C68H45N5PdSi2 |
| Molecular Weight | 1094.74 g/mol |
| Exact Mass | 1093.22 |
| IUPAC Name | 12H-imidazo[1,2-f]phenanthridin-12-id-11-yl-diphenyl-[3-(14,21,21-triphenyl-7,9,14-triaza-21-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)benzene-2-id-1-yl]silane;palladium(2+) |
| SMILES | [Pd+2].[c-]1c(-n2c3ccc4c(c3c3cccnc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2N4c2ccccc2)cccc1[Si](c1[c-]c2c(cc1)c1ccccc1n1ccnc21)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C68H45N5Si2.Pd/c1-6-22-48(23-7-1)72-61-37-18-19-38-64(61)75(52-29-12-4-13-30-52,53-31-14-5-15-32-53)66-63(72)42-41-62-65(66)58-35-21-43-69-68(58)73(62)49-24-20-33-54(46-49)74(50-25-8-2-9-26-50,51-27-10-3-11-28-51)55-39-40-56-57-34-16-17-36-60(57)71-45-44-70-67(71)59(56)47-55;/h1-45H;/q-2;+2 |
| InChIKey | NEUYUVGIOZIWPK-UHFFFAOYSA-N |
| XLogP | 10.27 |
| TPSA | 38.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 76 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1094.74 |
| LogP ≤ 5 | 10.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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