C176H180F3N9O20S2 — CID 172935698
[(E)-1-[9,9-bis(2-methoxyethyl)fluoren-2-yl]ethylideneamino] acetate;[(Z)-[(9,9-dipropylfluoren-2-yl)-naphthalen-1-ylmethylidene]amino] acetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] benzoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-methylsulfanylpropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-thiophen-2-ylacetate;[(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate (PubChem CID 172935698) has the molecular formula C176H180F3N9O20S2 and a molecular weight of 2862.55 g/mol. Its IUPAC name is [(E)-1-[9,9-bis(2-methoxyethyl)fluoren-2-yl]ethylideneamino] acetate;[(Z)-[(9,9-dipropylfluoren-2-yl)-naphthalen-1-ylmethylidene]amino] acetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] benzoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-methylsulfanylpropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-thiophen-2-ylacetate;[(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate.
| Compound Name | [(E)-1-[9,9-bis(2-methoxyethyl)fluoren-2-yl]ethylideneamino] acetate;[(Z)-[(9,9-dipropylfluoren-2-yl)-naphthalen-1-ylmethylidene]amino] acetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] benzoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-methylsulfanylpropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-thiophen-2-ylacetate;[(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate |
|---|---|
| PubChem CID | 172935698 |
| Molecular Formula | C176H180F3N9O20S2 |
| Molecular Weight | 2862.55 g/mol |
| Exact Mass | 2860.27 |
| IUPAC Name | [(E)-1-[9,9-bis(2-methoxyethyl)fluoren-2-yl]ethylideneamino] acetate;[(Z)-[(9,9-dipropylfluoren-2-yl)-naphthalen-1-ylmethylidene]amino] acetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] benzoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-methylsulfanylpropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-thiophen-2-ylacetate;[(E)-1-[9-propyl-9-(3,3,3-trifluoropropyl)fluoren-2-yl]ethylideneamino] acetate |
| SMILES | CCCC1(CCC(F)(F)F)c2ccccc2-c2ccc(/C(C)=N/OC(C)=O)cc21.CCCC1(CCC)c2cc(/C(=N/OC(=O)CCSC)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21.CCCC1(CCC)c2cc(/C(=N/OC(=O)Cc3cccs3)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21.CCCC1(CCC)c2cc(/C(=N/OC(=O)c3ccccc3)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21.CCCC1(CCC)c2ccccc2-c2ccc(/C(=N/OC(C)=O)c3cccc4ccccc34)cc21.COCCC1(CCOC)c2ccccc2-c2ccc(/C(C)=N/OC(C)=O)cc21 |
| InChI | InChI=1S/C34H32N2O4.C33H32N2O4S.C32H31NO2.C31H34N2O4S.C23H24F3NO2.C23H27NO4/c1-4-19-34(20-5-2)30-21-25(15-17-28(30)29-18-16-26(36(38)39)22-31(29)34)32(27-14-10-9-11-23(27)3)35-40-33(37)24-12-7-6-8-13-24;1-4-16-33(17-5-2)29-19-23(12-14-27(29)28-15-13-24(35(37)38)20-30(28)33)32(26-11-7-6-9-22(26)3)34-39-31(36)21-25-10-8-18-40-25;1-4-19-32(20-5-2)29-16-9-8-14-26(29)27-18-17-24(21-30(27)32)31(33-35-22(3)34)28-15-10-12-23-11-6-7-13-25(23)28;1-5-16-31(17-6-2)27-19-22(11-13-25(27)26-14-12-23(33(35)36)20-28(26)31)30(24-10-8-7-9-21(24)3)32-37-29(34)15-18-38-4;1-4-11-22(12-13-23(24,25)26)20-8-6-5-7-18(20)19-10-9-17(14-21(19)22)15(2)27-29-16(3)28;1-16(24-28-17(2)25)18-9-10-20-19-7-5-6-8-21(19)23(11-13-26-3,12-14-27-4)22(20)15-18/h6-18,21-22H,4-5,19-20H2,1-3H3;6-15,18-20H,4-5,16-17,21H2,1-3H3;6-18,21H,4-5,19-20H2,1-3H3;7-14,19-20H,5-6,15-18H2,1-4H3;5-10,14H,4,11-13H2,1-3H3;5-10,15H,11-14H2,1-4H3/b35-32-;34-32-;33-31-;32-30-;27-15+;24-16+ |
| InChIKey | QFQWQRVRHYZAFG-GUKKUFTQSA-N |
| XLogP | 43.29 |
| TPSA | 379.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 210 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2862.55 |
| LogP ≤ 5 | 43.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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