benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate

C169H166Br2Cl2N6O24 — CID 172927667

About benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate

benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate (PubChem CID 172927667) has the molecular formula C169H166Br2Cl2N6O24 and a molecular weight of 2895.92 g/mol. Its IUPAC name is benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate.

Molecular Properties

• Compound Name: benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate
• PubChem CID: 172927667
• Molecular Formula: C169H166Br2Cl2N6O24
• Molecular Weight: 2895.92 g/mol
• Exact Mass: 2890.97
• IUPAC Name: benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate
• SMILES: CC(=O)O/N=C(/C(=O)c1ccc2c(c1)C(CCBr)(CCBr)c1ccccc1-2)c1ccccc1C.CC(=O)O/N=C(/C(=O)c1ccc2c(c1)C(CCCl)(CCCl)c1ccccc1-2)c1ccccc1C.CC(=O)O/N=C(\CC1CCCC1)C(=O)c1ccc2c(c1)C(C)(C)c1ccccc1-2.CC(=O)O/N=C(\CC1CCCC1)C(=O)c1ccc2c(c1)Cc1ccccc1-2.CCCC1(CCC)c2ccccc2-c2ccc(C(=O)/C(CCC(=O)OCc3ccccc3)=N/OC(C)=O)cc21.COC(=O)CCC1(CCC(=O)OC)c2ccccc2-c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3C)cc21
• InChI: InChI=1S/C33H35NO5.C32H31NO7.C28H25Br2NO3.C28H25Cl2NO3.C25H27NO3.C23H23NO3/c1-4-19-33(20-5-2)28-14-10-9-13-26(28)27-16-15-25(21-29(27)33)32(37)30(34-39-23(3)35)17-18-31(36)38-22-24-11-7-6-8-12-24;1-20-9-5-6-10-23(20)30(33-40-21(2)34)31(37)22-13-14-25-24-11-7-8-12-26(24)32(27(25)19-22,17-15-28(35)38-3)18-16-29(36)39-4;2*1-18-7-3-4-8-21(18)26(31-34-19(2)32)27(33)20-11-12-23-22-9-5-6-10-24(22)28(13-15-29,14-16-30)25(23)17-20;1-16(27)29-26-23(14-17-8-4-5-9-17)24(28)18-12-13-20-19-10-6-7-11-21(19)25(2,3)22(20)15-18;1-15(25)27-24-22(12-16-6-2-3-7-16)23(26)18-10-11-21-19(14-18)13-17-8-4-5-9-20(17)21/h6-16,21H,4-5,17-20,22H2,1-3H3;5-14,19H,15-18H2,1-4H3;2*3-12,17H,13-16H2,1-2H3;6-7,10-13,15,17H,4-5,8-9,14H2,1-3H3;4-5,8-11,14,16H,2-3,6-7,12-13H2,1H3/b34-30+;33-30+;2*31-26+;26-23+;24-22+
• InChIKey: ATKKFIGXYPBNSE-GDYZGWONSA-N
• XLogP: 36.76
• TPSA: 413.28 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 48
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2895.92
LogP ≤ 5	36.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate?

The IUPAC name of benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate (CID 172927667) is benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate.

What is the SMILES notation for benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate?

The canonical SMILES for benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate is CC(=O)O/N=C(/C(=O)c1ccc2c(c1)C(CCBr)(CCBr)c1ccccc1-2)c1ccccc1C.CC(=O)O/N=C(/C(=O)c1ccc2c(c1)C(CCCl)(CCCl)c1ccccc1-2)c1ccccc1C.CC(=O)O/N=C(\CC1CCCC1)C(=O)c1ccc2c(c1)C(C)(C)c1ccccc1-2.CC(=O)O/N=C(\CC1CCCC1)C(=O)c1ccc2c(c1)Cc1ccccc1-2.CCCC1(CCC)c2ccccc2-c2ccc(C(=O)/C(CCC(=O)OCc3ccccc3)=N/OC(C)=O)cc21.COC(=O)CCC1(CCC(=O)OC)c2ccccc2-c2ccc(C(=O)/C(=N/OC(C)=O)c3ccccc3C)cc21.

What is the InChIKey of benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate?

The InChIKey is ATKKFIGXYPBNSE-GDYZGWONSA-N. The full InChI is InChI=1S/C33H35NO5.C32H31NO7.C28H25Br2NO3.C28H25Cl2NO3.C25H27NO3.C23H23NO3/c1-4-19-33(20-5-2)28-14-10-9-13-26(28)27-16-15-25(21-29(27)33)32(37)30(34-39-23(3)35)17-18-31(36)38-22-24-11-7-6-8-12-24;1-20-9-5-6-10-23(20)30(33-40-21(2)34)31(37)22-13-14-25-24-11-7-8-12-26(24)32(27(25)19-22,17-15-28(35)38-3)18-16-29(36)39-4;2*1-18-7-3-4-8-21(18)26(31-34-19(2)32)27(33)20-11-12-23-22-9-5-6-10-24(22)28(13-15-29,14-16-30)25(23)17-20;1-16(27)29-26-23(14-17-8-4-5-9-17)24(28)18-12-13-20-19-10-6-7-11-21(19)25(2,3)22(20)15-18;1-15(25)27-24-22(12-16-6-2-3-7-16)23(26)18-10-11-21-19(14-18)13-17-8-4-5-9-20(17)21/h6-16,21H,4-5,17-20,22H2,1-3H3;5-14,19H,15-18H2,1-4H3;2*3-12,17H,13-16H2,1-2H3;6-7,10-13,15,17H,4-5,8-9,14H2,1-3H3;4-5,8-11,14,16H,2-3,6-7,12-13H2,1H3/b34-30+;33-30+;2*31-26+;26-23+;24-22+.

What are the key properties of benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate?

benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate has a molecular weight of 2895.92 g/mol, XLogP of 36.76, 48 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate;[(E)-[2-[9,9-bis(2-bromoethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[9,9-bis(2-chloroethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9,9-dimethylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(E)-[3-cyclopentyl-1-(9H-fluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;methyl 3-[2-[(2E)-2-acetyloxyimino-2-(2-methylphenyl)acetyl]-9-(3-methoxy-3-oxopropyl)fluoren-9-yl]propanoate is sourced from PubChem (CID 172927667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).