Dibutyl-[10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-id-2-yl]-pyridin-2-ylgermane;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;pentakis(gold(3+));[10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-5-methyl-1H-phenazin-1-id-2-yl]-phenyl-pyridin-2-ylgermane;10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-2-(1-pyridin-2-ylgerminan-1-yl)-1H-phenothiazin-1-ide;10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-2-(1-pyridin-2-ylgermolan-1-yl)-1H-phenothiazin-1-ide
C169H134Au5Ge5N21O2S2 — CID 158061558
Data last refreshed: (MolForge compound catalog, from PubChem)
About Dibutyl-[10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-id-2-yl]-pyridin-2-ylgermane;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;pentakis(gold(3+));[10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-5-methyl-1H-phenazin-1-id-2-yl]-phenyl-pyridin-2-ylgermane;10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-2-(1-pyridin-2-ylgerminan-1-yl)-1H-phenothiazin-1-ide;10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-2-(1-pyridin-2-ylgermolan-1-yl)-1H-phenothiazin-1-ide
Dibutyl-[10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-id-2-yl]-pyridin-2-ylgermane;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;pentakis(gold(3+));[10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-5-methyl-1H-phenazin-1-id-2-yl]-phenyl-pyridin-2-ylgermane;10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-2-(1-pyridin-2-ylgerminan-1-yl)-1H-phenothiazin-1-ide;10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-2-(1-pyridin-2-ylgermolan-1-yl)-1H-phenothiazin-1-ide (PubChem CID 158061558) has the molecular formula C169H134Au5Ge5N21O2S2 and a molecular weight of 3903.09 g/mol. Its IUPAC name is dibutyl-[10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-id-2-yl]-pyridin-2-ylgermane;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;pentakis(gold(3+));[10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-5-methyl-1H-phenazin-1-id-2-yl]-phenyl-pyridin-2-ylgermane;10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-2-(1-pyridin-2-ylgerminan-1-yl)-1H-phenothiazin-1-ide;10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-2-(1-pyridin-2-ylgermolan-1-yl)-1H-phenothiazin-1-ide.
Molecular Properties
| Compound Name | Dibutyl-[10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-id-2-yl]-pyridin-2-ylgermane;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;pentakis(gold(3+));[10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-5-methyl-1H-phenazin-1-id-2-yl]-phenyl-pyridin-2-ylgermane;10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-2-(1-pyridin-2-ylgerminan-1-yl)-1H-phenothiazin-1-ide;10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-2-(1-pyridin-2-ylgermolan-1-yl)-1H-phenothiazin-1-ide |
|---|---|
| PubChem CID | 158061558 |
| Molecular Formula | C169H134Au5Ge5N21O2S2 |
| Molecular Weight | 3903.09 g/mol |
| Exact Mass | 3907.49 |
| IUPAC Name | dibutyl-[10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-id-2-yl]-pyridin-2-ylgermane;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;pentakis(gold(3+));[10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-5-methyl-1H-phenazin-1-id-2-yl]-phenyl-pyridin-2-ylgermane;10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-2-(1-pyridin-2-ylgerminan-1-yl)-1H-phenothiazin-1-ide;10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-2-(1-pyridin-2-ylgermolan-1-yl)-1H-phenothiazin-1-ide |
| SMILES | CC1(C)c2ccccc2[Ge](c2[c-]c3c(cc2)Oc2ccccc2N3c2[c-]c(-c3ncc[n-]3)ccc2)(c2ccccn2)c2ccccc21.CCCC[Ge](CCCC)(c1[c-]c2c(cc1)Oc1ccccc1N2c1[c-]c(-c2ncc[n-]2)ccc1)c1ccccn1.CN1c2ccc([GeH](c3ccccc3)c3ccccn3)[c-]c2N(c2[c-]c(-c3ncc[n-]3)ccc2)c2ccccc21.[Au+3].[Au+3].[Au+3].[Au+3].[Au+3].[c-]1c(-c2ncc[n-]2)cccc1N1c2[c-]c([Ge]3(c4ccccn4)CCCC3)ccc2Sc2ccccc21.[c-]1c(-c2ncc[n-]2)cccc1N1c2[c-]c([Ge]3(c4ccccn4)CCCCC3)ccc2Sc2ccccc21 |
| InChI | InChI=1S/C41H29GeN4O.C34H33GeN4O.C33H24GeN5.C31H25GeN4S.C30H23GeN4S.5Au/c1-41(2)31-14-3-5-16-33(31)42(39-20-9-10-23-43-39,34-17-6-4-15-32(34)41)29-21-22-38-36(27-29)46(35-18-7-8-19-37(35)47-38)30-13-11-12-28(26-30)40-44-24-25-45-40;1-3-5-19-35(20-6-4-2,33-16-9-10-21-36-33)27-17-18-32-30(25-27)39(29-14-7-8-15-31(29)40-32)28-13-11-12-26(24-28)34-37-22-23-38-34;1-38-28-14-5-6-15-30(28)39(27-13-9-10-24(22-27)33-36-20-21-37-33)31-23-26(17-18-29(31)38)34(25-11-3-2-4-12-25)32-16-7-8-19-35-32;1-5-16-32(17-6-1,30-13-4-7-18-33-30)24-14-15-29-27(22-24)36(26-11-2-3-12-28(26)37-29)25-10-8-9-23(21-25)31-34-19-20-35-31;1-2-11-27-25(10-1)35(24-9-7-8-22(20-24)30-33-18-19-34-30)26-21-23(13-14-28(26)36-27)31(15-4-5-16-31)29-12-3-6-17-32-29;;;;;/h3-25H,1-2H3;7-18,21-23H,3-6,19-20H2,1-2H3;2-21,34H,1H3;2-4,7-15,18-20H,1,5-6,16-17H2;1-3,6-14,17-19H,4-5,15-16H2;;;;;/q5*-3;5*+3 |
| InChIKey | FRMIQYJSFLQHQM-UHFFFAOYSA-N |
| XLogP | 30.60 |
| TPSA | 237.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 204 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3903.09 |
| LogP ≤ 5 | 30.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 158061558 — identifiers, structure, computed properties (public domain)
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