C155H119N3 — CID 159836927
9,9-dimethyl-N-naphthalen-1-yl-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine (PubChem CID 159836927) has the molecular formula C155H119N3 and a molecular weight of 2023.68 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine.
| Compound Name | 9,9-dimethyl-N-naphthalen-1-yl-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine |
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| PubChem CID | 159836927 |
| Molecular Formula | C155H119N3 |
| Molecular Weight | 2023.68 g/mol |
| Exact Mass | 2021.94 |
| IUPAC Name | 9,9-dimethyl-N-naphthalen-1-yl-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine |
| SMILES | CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)c3)c21.CC1(C)c2ccccc2-c2cccc(N(c3cccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)c3)c3ccc4ccccc4c3)c21.CC1(C)c2ccccc2-c2cccc(N(c3cccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)c3)c3cccc4ccccc34)c21 |
| InChI | InChI=1S/C53H41N.2C51H39N/c1-53(2)48-31-16-15-29-46(48)47-30-18-32-49(52(47)53)54(44-35-33-39(34-36-44)38-19-7-3-8-20-38)45-28-17-27-43(37-45)51(42-25-13-6-14-26-42)50(40-21-9-4-10-22-40)41-23-11-5-12-24-41;1-51(2)45-32-15-14-30-43(45)44-31-18-34-47(50(44)51)52(46-33-17-26-36-19-12-13-29-42(36)46)41-28-16-27-40(35-41)49(39-24-10-5-11-25-39)48(37-20-6-3-7-21-37)38-22-8-4-9-23-38;1-51(2)46-30-15-14-28-44(46)45-29-17-31-47(50(45)51)52(43-33-32-36-18-12-13-25-40(36)34-43)42-27-16-26-41(35-42)49(39-23-10-5-11-24-39)48(37-19-6-3-7-20-37)38-21-8-4-9-22-38/h3-37H,1-2H3;2*3-35H,1-2H3 |
| InChIKey | NOEUKQJLVXFXRX-UHFFFAOYSA-N |
| XLogP | 41.38 |
| TPSA | 9.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 158 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2023.68 |
| LogP ≤ 5 | 41.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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