C173H147N3Si3 — CID 157304996
9,9-dihexyl-N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine (PubChem CID 157304996) has the molecular formula C173H147N3Si3 and a molecular weight of 2352.36 g/mol. Its IUPAC name is 9,9-dihexyl-N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine.
| Compound Name | 9,9-dihexyl-N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine |
|---|---|
| PubChem CID | 157304996 |
| Molecular Formula | C173H147N3Si3 |
| Molecular Weight | 2352.36 g/mol |
| Exact Mass | 2350.09 |
| IUPAC Name | 9,9-dihexyl-N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)fluoren-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc21.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1 |
| InChI | InChI=1S/C61H45NSi.C61H61NSi.C51H41NSi/c1-7-21-46(22-8-1)47-35-37-50(38-36-47)62(51-39-42-56(43-40-51)63(53-27-13-4-14-28-53,54-29-15-5-16-30-54)55-31-17-6-18-32-55)52-41-44-58-57-33-19-20-34-59(57)61(60(58)45-52,48-23-9-2-10-24-48)49-25-11-3-12-26-49;1-3-5-7-23-45-61(46-24-8-6-4-2)59-34-22-21-33-57(59)58-44-41-52(47-60(58)61)62(50-37-35-49(36-38-50)48-25-13-9-14-26-48)51-39-42-56(43-40-51)63(53-27-15-10-16-28-53,54-29-17-11-18-30-54)55-31-19-12-20-32-55;1-51(2)49-26-16-15-25-47(49)48-36-33-42(37-50(48)51)52(40-29-27-39(28-30-40)38-17-7-3-8-18-38)41-31-34-46(35-32-41)53(43-19-9-4-10-20-43,44-21-11-5-12-22-44)45-23-13-6-14-24-45/h1-45H;9-22,25-44,47H,3-8,23-24,45-46H2,1-2H3;3-37H,1-2H3 |
| InChIKey | BCIWGAPFKBUGHC-UHFFFAOYSA-N |
| XLogP | 37.48 |
| TPSA | 9.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 179 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2352.36 |
| LogP ≤ 5 | 37.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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