[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate

C129H135ClN8O17 — CID 172930916

IUPAC[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate
SMILESCCCC1(CCC)c2cc(/C(=N/OC(=O)C3CCCCC3)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21.CCCC1(CCC)c2cc(/C(=N/OC(=O)CCCl)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21.CCCC1(CCC)c2cc(/C(=N/OC(=O)COC)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21.CCCC1(CCC)c2cc(/C(=N/OC(=O)Cc3ccccc3)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C35H34N2O4.C34H38N2O4.C30H31ClN2O4.C30H32N2O5/c1-4-19-35(20-5-2)31-22-26(15-17-29(31)30-18-16-27(37(39)40)23-32(30)35)34(28-14-10-9-11-24(28)3)36-41-33(38)21-25-12-7-6-8-13-25;1-4-19-34(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;1-4-15-30(16-5-2)26-18-21(10-12-24(26)25-13-11-22(33(35)36)19-27(25)30)29(32-37-28(34)14-17-31)23-9-7-6-8-20(23)3;1-5-15-30(16-6-2)26-17-21(11-13-24(26)25-14-12-22(32(34)35)18-27(25)30)29(31-37-28(33)19-36-4)23-10-8-7-9-20(23)3/h6-18,22-23H,4-5,19-21H2,1-3H3;9-11,14-18,21-22,24H,4-8,12-13,19-20H2,1-3H3;6-13,18-19H,4-5,14-17H2,1-3H3;7-14,17-18H,5-6,15-16,19H2,1-4H3/b36-34-;35-32-;32-29-;31-29-
InChIKeyJPPBCCZQPUJNDW-WKHMRPHASA-N
MW2104.99 g/mol
LogP31.36
Rot. Bonds39

About [(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate

[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate (PubChem CID 172930916) has the molecular formula C129H135ClN8O17 and a molecular weight of 2104.99 g/mol. Its IUPAC name is [(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate.

Molecular Properties

Compound Name[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate
PubChem CID172930916
Molecular FormulaC129H135ClN8O17
Molecular Weight2104.99 g/mol
Exact Mass2102.96
IUPAC Name[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate
SMILESCCCC1(CCC)c2cc(/C(=N/OC(=O)C3CCCCC3)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21.CCCC1(CCC)c2cc(/C(=N/OC(=O)CCCl)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21.CCCC1(CCC)c2cc(/C(=N/OC(=O)COC)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21.CCCC1(CCC)c2cc(/C(=N/OC(=O)Cc3ccccc3)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C35H34N2O4.C34H38N2O4.C30H31ClN2O4.C30H32N2O5/c1-4-19-35(20-5-2)31-22-26(15-17-29(31)30-18-16-27(37(39)40)23-32(30)35)34(28-14-10-9-11-24(28)3)36-41-33(38)21-25-12-7-6-8-13-25;1-4-19-34(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;1-4-15-30(16-5-2)26-18-21(10-12-24(26)25-13-11-22(33(35)36)19-27(25)30)29(32-37-28(34)14-17-31)23-9-7-6-8-20(23)3;1-5-15-30(16-6-2)26-17-21(11-13-24(26)25-14-12-22(32(34)35)18-27(25)30)29(31-37-28(33)19-36-4)23-10-8-7-9-20(23)3/h6-18,22-23H,4-5,19-21H2,1-3H3;9-11,14-18,21-22,24H,4-8,12-13,19-20H2,1-3H3;6-13,18-19H,4-5,14-17H2,1-3H3;7-14,17-18H,5-6,15-16,19H2,1-4H3/b36-34-;35-32-;32-29-;31-29-
InChIKeyJPPBCCZQPUJNDW-WKHMRPHASA-N
XLogP31.36
TPSA336.43 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds39
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002104.99
LogP ≤ 531.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 [(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate with MolForge

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Related Compounds

[(Z)-[(9,9-dimethyl-7-nitrofluoren-2-yl)-(2-methylphenyl)methylidene]amino] 2-phenylacetate
CID 144596766
[(E)-[(9,9-dibutyl-7-nitrofluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate
CID 162451777
[(Z)-[cyclopentyl-(9,9-diethyl-7-nitrofluoren-2-yl)methylidene]amino] butanoate
CID 164786888
(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methanone
CID 118371862
3-chloro-1-(7-nitro-9,9-dipropylfluoren-2-yl)propan-1-one
CID 145412519
[(E)-[(2-methylphenyl)-(5-nitro-7,7-dipropylbenzo[g]fluoren-9-yl)methylidene]amino] acetate
CID 162451765
[(E)-[3-cyclohexyl-1-(7-nitro-9,9-dipropylfluoren-2-yl)-1-oxopropan-2-ylidene]amino] acetate;[(Z)-[3-cyclopentyl-1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]propylidene]amino] acetate;[(E)-[2-[9,9-dipropyl-7-(thiophene-2-carbonyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[2-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate;[(E)-[1-(2-methylphenyl)-2-(7-nitro-9,9-dipropylfluoren-2-yl)-2-oxoethylidene]amino] acetate
CID 172923527
[(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
[(E)-[3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[2-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate
CID 172966964
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
[(Z)-[3-cyclopentyl-1-(9,9-dibutyl-7-nitrofluoren-2-yl)propylidene]amino] acetate
CID 162451757
propyl (5Z)-5-(7-nitro-9,9-dipropylfluoren-2-yl)-5-propanoyloxyiminopentanoate
CID 164786843

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate?
The IUPAC name of [(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate (CID 172930916) is [(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate.
What is the SMILES notation for [(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate?
The canonical SMILES for [(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate is CCCC1(CCC)c2cc(/C(=N/OC(=O)C3CCCCC3)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21.CCCC1(CCC)c2cc(/C(=N/OC(=O)CCCl)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21.CCCC1(CCC)c2cc(/C(=N/OC(=O)COC)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21.CCCC1(CCC)c2cc(/C(=N/OC(=O)Cc3ccccc3)c3ccccc3C)ccc2-c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of [(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate?
The InChIKey is JPPBCCZQPUJNDW-WKHMRPHASA-N. The full InChI is InChI=1S/C35H34N2O4.C34H38N2O4.C30H31ClN2O4.C30H32N2O5/c1-4-19-35(20-5-2)31-22-26(15-17-29(31)30-18-16-27(37(39)40)23-32(30)35)34(28-14-10-9-11-24(28)3)36-41-33(38)21-25-12-7-6-8-13-25;1-4-19-34(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;1-4-15-30(16-5-2)26-18-21(10-12-24(26)25-13-11-22(33(35)36)19-27(25)30)29(32-37-28(34)14-17-31)23-9-7-6-8-20(23)3;1-5-15-30(16-6-2)26-17-21(11-13-24(26)25-14-12-22(32(34)35)18-27(25)30)29(31-37-28(33)19-36-4)23-10-8-7-9-20(23)3/h6-18,22-23H,4-5,19-21H2,1-3H3;9-11,14-18,21-22,24H,4-8,12-13,19-20H2,1-3H3;6-13,18-19H,4-5,14-17H2,1-3H3;7-14,17-18H,5-6,15-16,19H2,1-4H3/b36-34-;35-32-;32-29-;31-29-.
What are the key properties of [(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate?
[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate has a molecular weight of 2104.99 g/mol, XLogP of 31.36, 39 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 3-chloropropanoate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] cyclohexanecarboxylate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-methoxyacetate;[(Z)-[(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methylidene]amino] 2-phenylacetate is sourced from PubChem (CID 172930916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).