[1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate

C163H164Cl4N6O14 — CID 161249795

IUPAC[1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate
SMILESCC(=O)ON=C(c1ccc2c(c1)C(C)(C)c1cc(Cl)ccc1-2)c1ccccc1C.CCC1(CC)c2cc(C(=O)c3ccccc3)ccc2-c2ccc(C(C)=NOC(C)=O)cc21.CCC1(CC)c2cc(Cl)ccc2-c2ccc(C(=NOC(C)=O)c3ccccc3C)cc21.CCCC1(CCC)c2cc(C(=O)c3ccccc3C)ccc2-c2ccc(C(C)=NOC(C)=O)cc21.CCCC1(CCC)c2cc(Cl)ccc2-c2ccc(C(=NOC(C)=O)c3ccccc3C)cc21.CCCC1(CCC)c2cc(Cl)ccc2-c2ccc(C(C)=NOC(C)=O)cc21
InChIInChI=1S/C31H33NO3.C29H30ClNO2.C28H27NO3.C27H26ClNO2.C25H22ClNO2.C23H26ClNO2/c1-6-16-31(17-7-2)28-18-23(21(4)32-35-22(5)33)12-14-26(28)27-15-13-24(19-29(27)31)30(34)25-11-9-8-10-20(25)3;1-5-15-29(16-6-2)26-17-21(11-13-24(26)25-14-12-22(30)18-27(25)29)28(31-33-20(4)32)23-10-8-7-9-19(23)3;1-5-28(6-2)25-16-21(18(3)29-32-19(4)30)12-14-23(25)24-15-13-22(17-26(24)28)27(31)20-10-8-7-9-11-20;1-5-27(6-2)24-15-19(11-13-22(24)23-14-12-20(28)16-25(23)27)26(29-31-18(4)30)21-10-8-7-9-17(21)3;1-15-7-5-6-8-19(15)24(27-29-16(2)28)17-9-11-20-21-12-10-18(26)14-23(21)25(3,4)22(20)13-17;1-5-11-23(12-6-2)21-13-17(15(3)25-27-16(4)26)7-9-19(21)20-10-8-18(24)14-22(20)23/h8-15,18-19H,6-7,16-17H2,1-5H3;7-14,17-18H,5-6,15-16H2,1-4H3;7-17H,5-6H2,1-4H3;7-16H,5-6H2,1-4H3;5-14H,1-4H3;7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyVBCSOMGGJLLBSE-UHFFFAOYSA-N
MW2572.94 g/mol
LogP41.32
Rot. Bonds35

About [1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate

[1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate (PubChem CID 161249795) has the molecular formula C163H164Cl4N6O14 and a molecular weight of 2572.94 g/mol. Its IUPAC name is [1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate
PubChem CID161249795
Molecular FormulaC163H164Cl4N6O14
Molecular Weight2572.94 g/mol
Exact Mass2569.11
IUPAC Name[1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate
SMILESCC(=O)ON=C(c1ccc2c(c1)C(C)(C)c1cc(Cl)ccc1-2)c1ccccc1C.CCC1(CC)c2cc(C(=O)c3ccccc3)ccc2-c2ccc(C(C)=NOC(C)=O)cc21.CCC1(CC)c2cc(Cl)ccc2-c2ccc(C(=NOC(C)=O)c3ccccc3C)cc21.CCCC1(CCC)c2cc(C(=O)c3ccccc3C)ccc2-c2ccc(C(C)=NOC(C)=O)cc21.CCCC1(CCC)c2cc(Cl)ccc2-c2ccc(C(=NOC(C)=O)c3ccccc3C)cc21.CCCC1(CCC)c2cc(Cl)ccc2-c2ccc(C(C)=NOC(C)=O)cc21
InChIInChI=1S/C31H33NO3.C29H30ClNO2.C28H27NO3.C27H26ClNO2.C25H22ClNO2.C23H26ClNO2/c1-6-16-31(17-7-2)28-18-23(21(4)32-35-22(5)33)12-14-26(28)27-15-13-24(19-29(27)31)30(34)25-11-9-8-10-20(25)3;1-5-15-29(16-6-2)26-17-21(11-13-24(26)25-14-12-22(30)18-27(25)29)28(31-33-20(4)32)23-10-8-7-9-19(23)3;1-5-28(6-2)25-16-21(18(3)29-32-19(4)30)12-14-23(25)24-15-13-22(17-26(24)28)27(31)20-10-8-7-9-11-20;1-5-27(6-2)24-15-19(11-13-22(24)23-14-12-20(28)16-25(23)27)26(29-31-18(4)30)21-10-8-7-9-17(21)3;1-15-7-5-6-8-19(15)24(27-29-16(2)28)17-9-11-20-21-12-10-18(26)14-23(21)25(3,4)22(20)13-17;1-5-11-23(12-6-2)21-13-17(15(3)25-27-16(4)26)7-9-19(21)20-10-8-18(24)14-22(20)23/h8-15,18-19H,6-7,16-17H2,1-5H3;7-14,17-18H,5-6,15-16H2,1-4H3;7-17H,5-6H2,1-4H3;7-16H,5-6H2,1-4H3;5-14H,1-4H3;7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyVBCSOMGGJLLBSE-UHFFFAOYSA-N
XLogP41.32
TPSA266.10 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds35
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002572.94
LogP ≤ 541.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate with MolForge

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Related Compounds

[(E)-1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate
CID 118371864
[(E)-[(2-methylphenyl)-[5-(naphthalene-1-carbonyl)-7,7-dipropylbenzo[g]fluoren-9-yl]methylidene]amino] acetate
CID 156516860
[(E)-[1-(2-methylphenyl)-2-[7-(naphthalene-1-carbonyl)-9,9-dipropylfluoren-2-yl]-2-oxoethylidene]amino] acetate
CID 122597198
[(E)-[(9,9-dibutyl-7-nitrofluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate
CID 162451777
[(E)-[(2-methylphenyl)-(5-nitro-7,7-dipropylbenzo[g]fluoren-9-yl)methylidene]amino] acetate
CID 162451765
(2-methylphenyl)-(7-nitro-9,9-dipropylfluoren-2-yl)methanone
CID 118371862
[(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
ethane;[(E)-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
CID 144561442
[1-(9,9-diethyl-7-isocyanofluoren-2-yl)ethylideneamino] acetate
CID 140729147
[(E)-1-[4-(ethylamino)-3-[3-(2-methylbenzoyl)phenyl]phenyl]ethylideneamino] acetate
CID 118601522
[(Z)-[(9,9-dimethyl-7-nitrofluoren-2-yl)-(2-methylphenyl)methylidene]amino] 2-phenylacetate
CID 144596766
[(E)-[2-[9,9-bis(2-phenylethyl)fluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate
CID 122597232

Frequently Asked Questions

What is the IUPAC name of [1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate?
The IUPAC name of [1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate (CID 161249795) is [1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate.
What is the SMILES notation for [1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate?
The canonical SMILES for [1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate is CC(=O)ON=C(c1ccc2c(c1)C(C)(C)c1cc(Cl)ccc1-2)c1ccccc1C.CCC1(CC)c2cc(C(=O)c3ccccc3)ccc2-c2ccc(C(C)=NOC(C)=O)cc21.CCC1(CC)c2cc(Cl)ccc2-c2ccc(C(=NOC(C)=O)c3ccccc3C)cc21.CCCC1(CCC)c2cc(C(=O)c3ccccc3C)ccc2-c2ccc(C(C)=NOC(C)=O)cc21.CCCC1(CCC)c2cc(Cl)ccc2-c2ccc(C(=NOC(C)=O)c3ccccc3C)cc21.CCCC1(CCC)c2cc(Cl)ccc2-c2ccc(C(C)=NOC(C)=O)cc21.
What is the InChIKey of [1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate?
The InChIKey is VBCSOMGGJLLBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO3.C29H30ClNO2.C28H27NO3.C27H26ClNO2.C25H22ClNO2.C23H26ClNO2/c1-6-16-31(17-7-2)28-18-23(21(4)32-35-22(5)33)12-14-26(28)27-15-13-24(19-29(27)31)30(34)25-11-9-8-10-20(25)3;1-5-15-29(16-6-2)26-17-21(11-13-24(26)25-14-12-22(30)18-27(25)29)28(31-33-20(4)32)23-10-8-7-9-19(23)3;1-5-28(6-2)25-16-21(18(3)29-32-19(4)30)12-14-23(25)24-15-13-22(17-26(24)28)27(31)20-10-8-7-9-11-20;1-5-27(6-2)24-15-19(11-13-22(24)23-14-12-20(28)16-25(23)27)26(29-31-18(4)30)21-10-8-7-9-17(21)3;1-15-7-5-6-8-19(15)24(27-29-16(2)28)17-9-11-20-21-12-10-18(26)14-23(21)25(3,4)22(20)13-17;1-5-11-23(12-6-2)21-13-17(15(3)25-27-16(4)26)7-9-19(21)20-10-8-18(24)14-22(20)23/h8-15,18-19H,6-7,16-17H2,1-5H3;7-14,17-18H,5-6,15-16H2,1-4H3;7-17H,5-6H2,1-4H3;7-16H,5-6H2,1-4H3;5-14H,1-4H3;7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of [1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate?
[1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate has a molecular weight of 2572.94 g/mol, XLogP of 41.32, 35 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-benzoyl-9,9-diethylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-diethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[[(7-chloro-9,9-dimethylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-(7-chloro-9,9-dipropylfluoren-2-yl)ethylideneamino] acetate;[[(7-chloro-9,9-dipropylfluoren-2-yl)-(2-methylphenyl)methylidene]amino] acetate;[1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]ethylideneamino] acetate is sourced from PubChem (CID 161249795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).