[(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

C176H180F3N9O20S2 — CID 172935698

IUPAC[(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
SMILESCCCC1(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
InChIInChI=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+
InChIKeyQFQWQRVRHYZAFG-GUKKUFTQSA-N
MW2862.55 g/mol
LogP43.29
Rot. Bonds51

About [(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

[(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.

Molecular Properties

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 CID172935698
Molecular FormulaC176H180F3N9O20S2
Molecular Weight2862.55 g/mol
Exact Mass2860.27
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
SMILESCCCC1(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
InChIInChI=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+
InChIKeyQFQWQRVRHYZAFG-GUKKUFTQSA-N
XLogP43.29
TPSA379.84 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds51
Heavy Atoms210
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002862.55
LogP ≤ 543.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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'}

Analyze [(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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 (CID 172935698) 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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is 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.
What is the InChIKey of [(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?
The InChIKey is QFQWQRVRHYZAFG-GUKKUFTQSA-N. The full InChI is 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+.
What are the key properties of [(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?
[(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 has a molecular weight of 2862.55 g/mol, XLogP of 43.29, 51 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 172935698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).