decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron

C307H316Fe10N14O38 — CID 172973320

IUPACdecakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron
SMILESC/C(=C\C1CCCC1)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.O=C(/C=C/C1CCCC1)Oc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.O=C(/C=C/C1CCCC1)Oc1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1.O=C(CC1CCCC1)Oc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.O=C(CC1CCCC1)Oc1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1.O=C(CCC(=O)C1CCCC1)Oc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.O=C(CCC(=O)C1CCCC1)Oc1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1.O=C(N/N=C/C1CCCC1)Oc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.O=C(N/N=C/C1CCCC1)Oc1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1.O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(/C=C/C2CCCC2)cc1.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/2C27H23NO5.2C26H21NO4.C26H23NO2.2C25H21N3O4.2C25H21NO4.C25H21NO2.10C5H10.10Fe/c29-23(17-6-1-2-7-17)14-15-24(30)33-20-11-5-10-19(16-20)28-26(31)21-12-3-8-18-9-4-13-22(25(18)21)27(28)32;29-23(17-5-1-2-6-17)15-16-24(30)33-20-13-11-19(12-14-20)28-26(31)21-9-3-7-18-8-4-10-22(25(18)21)27(28)32;28-23(15-14-17-6-1-2-7-17)31-20-11-5-10-19(16-20)27-25(29)21-12-3-8-18-9-4-13-22(24(18)21)26(27)30;28-23(16-11-17-5-1-2-6-17)31-20-14-12-19(13-15-20)27-25(29)21-9-3-7-18-8-4-10-22(24(18)21)26(27)30;1-17(16-18-6-2-3-7-18)19-12-14-21(15-13-19)27-25(28)22-10-4-8-20-9-5-11-23(24(20)22)26(27)29;29-23-20-12-3-8-17-9-4-13-21(22(17)20)24(30)28(23)18-10-5-11-19(14-18)32-25(31)27-26-15-16-6-1-2-7-16;29-23-20-9-3-7-17-8-4-10-21(22(17)20)24(30)28(23)18-11-13-19(14-12-18)32-25(31)27-26-15-16-5-1-2-6-16;27-22(14-16-6-1-2-7-16)30-19-11-5-10-18(15-19)26-24(28)20-12-3-8-17-9-4-13-21(23(17)20)25(26)29;27-22(15-16-5-1-2-6-16)30-19-13-11-18(12-14-19)26-24(28)20-9-3-7-17-8-4-10-21(23(17)20)25(26)29;27-24-21-9-3-7-19-8-4-10-22(23(19)21)25(28)26(24)20-15-13-18(14-16-20)12-11-17-5-1-2-6-17;10*1-2-4-5-3-1;;;;;;;;;;/h3-5,8-13,16-17H,1-2,6-7,14-15H2;3-4,7-14,17H,1-2,5-6,15-16H2;3-5,8-17H,1-2,6-7H2;3-4,7-17H,1-2,5-6H2;4-5,8-16,18H,2-3,6-7H2,1H3;3-5,8-16H,1-2,6-7H2,(H,27,31);3-4,7-16H,1-2,5-6H2,(H,27,31);3-5,8-13,15-16H,1-2,6-7,14H2;3-4,7-14,16H,1-2,5-6,15H2;3-4,7-17H,1-2,5-6H2;10*1-5H2;;;;;;;;;;/b;;15-14+;16-11+;17-16+;2*26-15+;;;12-11+;;;;;;;;;;;;;;;;;;;;
InChIKeyJJUNIZUOTWBNGR-OCVPLOBISA-N
MW5368.42 g/mol
LogP72.37
Rot. Bonds42

About decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron

decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron (PubChem CID 172973320) has the molecular formula C307H316Fe10N14O38 and a molecular weight of 5368.42 g/mol. Its IUPAC name is decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron.

Molecular Properties

Compound Namedecakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron
PubChem CID172973320
Molecular FormulaC307H316Fe10N14O38
Molecular Weight5368.42 g/mol
Exact Mass5365.67
IUPAC Namedecakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron
SMILESC/C(=C\C1CCCC1)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.O=C(/C=C/C1CCCC1)Oc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.O=C(/C=C/C1CCCC1)Oc1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1.O=C(CC1CCCC1)Oc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.O=C(CC1CCCC1)Oc1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1.O=C(CCC(=O)C1CCCC1)Oc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.O=C(CCC(=O)C1CCCC1)Oc1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1.O=C(N/N=C/C1CCCC1)Oc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.O=C(N/N=C/C1CCCC1)Oc1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1.O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(/C=C/C2CCCC2)cc1.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/2C27H23NO5.2C26H21NO4.C26H23NO2.2C25H21N3O4.2C25H21NO4.C25H21NO2.10C5H10.10Fe/c29-23(17-6-1-2-7-17)14-15-24(30)33-20-11-5-10-19(16-20)28-26(31)21-12-3-8-18-9-4-13-22(25(18)21)27(28)32;29-23(17-5-1-2-6-17)15-16-24(30)33-20-13-11-19(12-14-20)28-26(31)21-9-3-7-18-8-4-10-22(25(18)21)27(28)32;28-23(15-14-17-6-1-2-7-17)31-20-11-5-10-19(16-20)27-25(29)21-12-3-8-18-9-4-13-22(24(18)21)26(27)30;28-23(16-11-17-5-1-2-6-17)31-20-14-12-19(13-15-20)27-25(29)21-9-3-7-18-8-4-10-22(24(18)21)26(27)30;1-17(16-18-6-2-3-7-18)19-12-14-21(15-13-19)27-25(28)22-10-4-8-20-9-5-11-23(24(20)22)26(27)29;29-23-20-12-3-8-17-9-4-13-21(22(17)20)24(30)28(23)18-10-5-11-19(14-18)32-25(31)27-26-15-16-6-1-2-7-16;29-23-20-9-3-7-17-8-4-10-21(22(17)20)24(30)28(23)18-11-13-19(14-12-18)32-25(31)27-26-15-16-5-1-2-6-16;27-22(14-16-6-1-2-7-16)30-19-11-5-10-18(15-19)26-24(28)20-12-3-8-17-9-4-13-21(23(17)20)25(26)29;27-22(15-16-5-1-2-6-16)30-19-13-11-18(12-14-19)26-24(28)20-9-3-7-17-8-4-10-21(23(17)20)25(26)29;27-24-21-9-3-7-19-8-4-10-22(23(19)21)25(28)26(24)20-15-13-18(14-16-20)12-11-17-5-1-2-6-17;10*1-2-4-5-3-1;;;;;;;;;;/h3-5,8-13,16-17H,1-2,6-7,14-15H2;3-4,7-14,17H,1-2,5-6,15-16H2;3-5,8-17H,1-2,6-7H2;3-4,7-17H,1-2,5-6H2;4-5,8-16,18H,2-3,6-7H2,1H3;3-5,8-16H,1-2,6-7H2,(H,27,31);3-4,7-16H,1-2,5-6H2,(H,27,31);3-5,8-13,15-16H,1-2,6-7,14H2;3-4,7-14,16H,1-2,5-6,15H2;3-4,7-17H,1-2,5-6H2;10*1-5H2;;;;;;;;;;/b;;15-14+;16-11+;17-16+;2*26-15+;;;12-11+;;;;;;;;;;;;;;;;;;;;
InChIKeyJJUNIZUOTWBNGR-OCVPLOBISA-N
XLogP72.37
TPSA667.12 Ų
H-Bond Donors2
H-Bond Acceptors40
Rotatable Bonds42
Heavy Atoms369
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005368.42
LogP ≤ 572.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1040

Analyze decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron with MolForge

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Related Compounds

[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate
CID 59005607
[2-[4-(cyclopentanecarbonyloxy)phenyl]-1,3-dioxobenzo[de]isoquinolin-5-yl] 4-nitrobenzoate
CID 59005428
[2-[4-(cyclopentanecarbonyloxy)phenyl]-1,3-dioxobenzo[de]isoquinolin-5-yl] 4-(diethylamino)benzoate;[2-[4-(cyclopentanecarbonyloxy)phenyl]-1,3-dioxobenzo[de]isoquinolin-5-yl] 4-nitrobenzoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] cyclopentanecarboxylate;[4-(1,3-dioxo-5-propan-2-yloxybenzo[de]isoquinolin-2-yl)phenyl] cyclopentanecarboxylate;iron;bis([4-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] cyclopentanecarboxylate)
CID 162281817
[2-(4-cyclopentylphenyl)-1,3-dioxobenzo[de]isoquinolin-5-yl] 4-(diethylamino)benzoate
CID 59005525
2-[4-[6-[2-[6-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 72565697
6-[4-[(E)-2-cyclopentylethenyl]phenyl]-13-(4-cyclopentylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59005594
[4-(1,3-dioxoisoindol-2-yl)phenyl] butanoate
CID 19184411
[3-(1,3-dioxoisoindol-2-yl)phenyl] cyclopropanecarboxylate
CID 19205362
[4-(1,3-dioxo-5-phenoxybenzo[de]isoquinolin-2-yl)phenyl] cyclopenta-1,3-diene-1-carboxylate
CID 89262729
[4-(1,3-dioxoisoindol-2-yl)phenyl] (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate
CID 19185021
[3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] propanoate
CID 7165779
[4-(1,3-dioxoisoindol-2-yl)phenyl] 4-(4-methoxyphenoxy)butanoate
CID 19184538

Frequently Asked Questions

What is the IUPAC name of decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron?
The IUPAC name of decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron (CID 172973320) is decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron.
What is the SMILES notation for decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron?
The canonical SMILES for decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron is C/C(=C\C1CCCC1)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.O=C(/C=C/C1CCCC1)Oc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.O=C(/C=C/C1CCCC1)Oc1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1.O=C(CC1CCCC1)Oc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.O=C(CC1CCCC1)Oc1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1.O=C(CCC(=O)C1CCCC1)Oc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.O=C(CCC(=O)C1CCCC1)Oc1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1.O=C(N/N=C/C1CCCC1)Oc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1.O=C(N/N=C/C1CCCC1)Oc1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1.O=C1c2cccc3cccc(c23)C(=O)N1c1ccc(/C=C/C2CCCC2)cc1.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].
What is the InChIKey of decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron?
The InChIKey is JJUNIZUOTWBNGR-OCVPLOBISA-N. The full InChI is InChI=1S/2C27H23NO5.2C26H21NO4.C26H23NO2.2C25H21N3O4.2C25H21NO4.C25H21NO2.10C5H10.10Fe/c29-23(17-6-1-2-7-17)14-15-24(30)33-20-11-5-10-19(16-20)28-26(31)21-12-3-8-18-9-4-13-22(25(18)21)27(28)32;29-23(17-5-1-2-6-17)15-16-24(30)33-20-13-11-19(12-14-20)28-26(31)21-9-3-7-18-8-4-10-22(25(18)21)27(28)32;28-23(15-14-17-6-1-2-7-17)31-20-11-5-10-19(16-20)27-25(29)21-12-3-8-18-9-4-13-22(24(18)21)26(27)30;28-23(16-11-17-5-1-2-6-17)31-20-14-12-19(13-15-20)27-25(29)21-9-3-7-18-8-4-10-22(24(18)21)26(27)30;1-17(16-18-6-2-3-7-18)19-12-14-21(15-13-19)27-25(28)22-10-4-8-20-9-5-11-23(24(20)22)26(27)29;29-23-20-12-3-8-17-9-4-13-21(22(17)20)24(30)28(23)18-10-5-11-19(14-18)32-25(31)27-26-15-16-6-1-2-7-16;29-23-20-9-3-7-17-8-4-10-21(22(17)20)24(30)28(23)18-11-13-19(14-12-18)32-25(31)27-26-15-16-5-1-2-6-16;27-22(14-16-6-1-2-7-16)30-19-11-5-10-18(15-19)26-24(28)20-12-3-8-17-9-4-13-21(23(17)20)25(26)29;27-22(15-16-5-1-2-6-16)30-19-13-11-18(12-14-19)26-24(28)20-9-3-7-17-8-4-10-21(23(17)20)25(26)29;27-24-21-9-3-7-19-8-4-10-22(23(19)21)25(28)26(24)20-15-13-18(14-16-20)12-11-17-5-1-2-6-17;10*1-2-4-5-3-1;;;;;;;;;;/h3-5,8-13,16-17H,1-2,6-7,14-15H2;3-4,7-14,17H,1-2,5-6,15-16H2;3-5,8-17H,1-2,6-7H2;3-4,7-17H,1-2,5-6H2;4-5,8-16,18H,2-3,6-7H2,1H3;3-5,8-16H,1-2,6-7H2,(H,27,31);3-4,7-16H,1-2,5-6H2,(H,27,31);3-5,8-13,15-16H,1-2,6-7,14H2;3-4,7-14,16H,1-2,5-6,15H2;3-4,7-17H,1-2,5-6H2;10*1-5H2;;;;;;;;;;/b;;15-14+;16-11+;17-16+;2*26-15+;;;12-11+;;;;;;;;;;;;;;;;;;;;.
What are the key properties of decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron?
decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron has a molecular weight of 5368.42 g/mol, XLogP of 72.37, 42 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for decakis(cyclopentane);2-[4-[(E)-2-cyclopentylethenyl]phenyl]benzo[de]isoquinoline-1,3-dione;2-[4-[(E)-1-cyclopentylprop-1-en-2-yl]phenyl]benzo[de]isoquinoline-1,3-dione;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 2-cyclopentylacetate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] N-[(E)-cyclopentylmethylideneamino]carbamate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] 4-cyclopentyl-4-oxobutanoate;[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] (E)-3-cyclopentylprop-2-enoate;iron is sourced from PubChem (CID 172973320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).