pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane

C249H210F9Fe6N19O32 — CID 162285524

IUPACpentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane
SMILESC1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CC1CCCC1.Cc1cc([N+](=O)[O-])c(C)c2c(=O)[nH]c(C3C(=O)c4cc5cc6c(cc5cc4C3=O)C(=O)N(c3ccc(C4CCCC4)cc3)C6=O)nc12.Cc1ccc(-n2c(C3C(=O)c4cc5c(cc4C3=O)C(=O)N(c3cccc(C4CCCC4)c3)C5=O)nc3ccccc3c2=O)cc1.O=C1c2cc3c(cc2C(=O)C1c1nc2ccccc2c(=O)n1-c1ccc(F)c(F)c1F)C(=O)N(c1ccccc1C1CCCC1)C3=O.O=C1c2cc3c(cc2C(=O)C1c1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N(c1ccc(C2CCCC2)cc1)C3=O.O=C1c2cc3cc4c(cc3cc2C(=O)C1c1nc2ccccc2c(=O)[nH]1)C(=O)N(c1ccc(C2CCCC2)cc1)C4=O.O=C1c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(C5CCCC5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C(=O)C1c1nc2ccccc2c(=O)[nH]1.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/C39H25F6N3O5.C37H27N3O5.C36H22F3N3O5.C36H26N4O7.C36H25N3O5.C34H23N3O5.C6H12.5C5H10.6Fe/c40-38(41,42)37(39(43,44)45,21-11-15-24-27(17-21)32(50)30(31(24)49)33-46-29-8-4-3-7-26(29)34(51)47-33)22-12-16-25-28(18-22)36(53)48(35(25)52)23-13-9-20(10-14-23)19-5-1-2-6-19;1-20-13-15-23(16-14-20)39-34(38-30-12-5-4-11-25(30)35(39)43)31-32(41)26-18-28-29(19-27(26)33(31)42)37(45)40(36(28)44)24-10-6-9-22(17-24)21-7-2-3-8-21;37-24-13-14-27(30(39)29(24)38)41-33(40-25-11-5-3-10-19(25)34(41)45)28-31(43)20-15-22-23(16-21(20)32(28)44)36(47)42(35(22)46)26-12-6-4-9-18(26)17-7-1-2-8-17;1-16-11-27(40(46)47)17(2)28-30(16)37-33(38-34(28)43)29-31(41)23-12-20-14-25-26(15-21(20)13-24(23)32(29)42)36(45)39(35(25)44)22-9-7-19(8-10-22)18-5-3-4-6-18;40-31-25-18-27-28(36(44)39(35(27)43)23-16-14-21(15-17-23)20-8-4-5-9-20)19-26(25)32(41)30(31)33-37-29-13-7-6-12-24(29)34(42)38(33)22-10-2-1-3-11-22;38-29-23-13-19-15-25-26(34(42)37(33(25)41)21-11-9-18(10-12-21)17-5-1-2-6-17)16-20(19)14-24(23)30(39)28(29)31-35-27-8-4-3-7-22(27)32(40)36-31;1-6-4-2-3-5-6;5*1-2-4-5-3-1;;;;;;/h3-4,7-19,30H,1-2,5-6H2,(H,46,47,51);4-6,9-19,21,31H,2-3,7-8H2,1H3;3-6,9-17,28H,1-2,7-8H2;7-15,18,29H,3-6H2,1-2H3,(H,37,38,43);1-3,6-7,10-20,30H,4-5,8-9H2;3-4,7-17,28H,1-2,5-6H2,(H,35,36,40);6H,2-5H2,1H3;5*1-5H2;;;;;;
InChIKeyWGJDXLXMXIPFGD-UHFFFAOYSA-N
MW4486.57 g/mol
LogP50.55
Rot. Bonds24

About pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane

pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane (PubChem CID 162285524) has the molecular formula C249H210F9Fe6N19O32 and a molecular weight of 4486.57 g/mol. Its IUPAC name is pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane.

Molecular Properties

Compound Namepentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane
PubChem CID162285524
Molecular FormulaC249H210F9Fe6N19O32
Molecular Weight4486.57 g/mol
Exact Mass4484.13
IUPAC Namepentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane
SMILESC1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CC1CCCC1.Cc1cc([N+](=O)[O-])c(C)c2c(=O)[nH]c(C3C(=O)c4cc5cc6c(cc5cc4C3=O)C(=O)N(c3ccc(C4CCCC4)cc3)C6=O)nc12.Cc1ccc(-n2c(C3C(=O)c4cc5c(cc4C3=O)C(=O)N(c3cccc(C4CCCC4)c3)C5=O)nc3ccccc3c2=O)cc1.O=C1c2cc3c(cc2C(=O)C1c1nc2ccccc2c(=O)n1-c1ccc(F)c(F)c1F)C(=O)N(c1ccccc1C1CCCC1)C3=O.O=C1c2cc3c(cc2C(=O)C1c1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N(c1ccc(C2CCCC2)cc1)C3=O.O=C1c2cc3cc4c(cc3cc2C(=O)C1c1nc2ccccc2c(=O)[nH]1)C(=O)N(c1ccc(C2CCCC2)cc1)C4=O.O=C1c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(C5CCCC5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C(=O)C1c1nc2ccccc2c(=O)[nH]1.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/C39H25F6N3O5.C37H27N3O5.C36H22F3N3O5.C36H26N4O7.C36H25N3O5.C34H23N3O5.C6H12.5C5H10.6Fe/c40-38(41,42)37(39(43,44)45,21-11-15-24-27(17-21)32(50)30(31(24)49)33-46-29-8-4-3-7-26(29)34(51)47-33)22-12-16-25-28(18-22)36(53)48(35(25)52)23-13-9-20(10-14-23)19-5-1-2-6-19;1-20-13-15-23(16-14-20)39-34(38-30-12-5-4-11-25(30)35(39)43)31-32(41)26-18-28-29(19-27(26)33(31)42)37(45)40(36(28)44)24-10-6-9-22(17-24)21-7-2-3-8-21;37-24-13-14-27(30(39)29(24)38)41-33(40-25-11-5-3-10-19(25)34(41)45)28-31(43)20-15-22-23(16-21(20)32(28)44)36(47)42(35(22)46)26-12-6-4-9-18(26)17-7-1-2-8-17;1-16-11-27(40(46)47)17(2)28-30(16)37-33(38-34(28)43)29-31(41)23-12-20-14-25-26(15-21(20)13-24(23)32(29)42)36(45)39(35(25)44)22-9-7-19(8-10-22)18-5-3-4-6-18;40-31-25-18-27-28(36(44)39(35(27)43)23-16-14-21(15-17-23)20-8-4-5-9-20)19-26(25)32(41)30(31)33-37-29-13-7-6-12-24(29)34(42)38(33)22-10-2-1-3-11-22;38-29-23-13-19-15-25-26(34(42)37(33(25)41)21-11-9-18(10-12-21)17-5-1-2-6-17)16-20(19)14-24(23)30(39)28(29)31-35-27-8-4-3-7-22(27)32(40)36-31;1-6-4-2-3-5-6;5*1-2-4-5-3-1;;;;;;/h3-4,7-19,30H,1-2,5-6H2,(H,46,47,51);4-6,9-19,21,31H,2-3,7-8H2,1H3;3-6,9-17,28H,1-2,7-8H2;7-15,18,29H,3-6H2,1-2H3,(H,37,38,43);1-3,6-7,10-20,30H,4-5,8-9H2;3-4,7-17,28H,1-2,5-6H2,(H,35,36,40);6H,2-5H2,1H3;5*1-5H2;;;;;;
InChIKeyWGJDXLXMXIPFGD-UHFFFAOYSA-N
XLogP50.55
TPSA714.18 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds24
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004486.57
LogP ≤ 550.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Analyze pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane?
The IUPAC name of pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane (CID 162285524) is pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane.
What is the SMILES notation for pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane?
The canonical SMILES for pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane is C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.C1CCCC1.CC1CCCC1.Cc1cc([N+](=O)[O-])c(C)c2c(=O)[nH]c(C3C(=O)c4cc5cc6c(cc5cc4C3=O)C(=O)N(c3ccc(C4CCCC4)cc3)C6=O)nc12.Cc1ccc(-n2c(C3C(=O)c4cc5c(cc4C3=O)C(=O)N(c3cccc(C4CCCC4)c3)C5=O)nc3ccccc3c2=O)cc1.O=C1c2cc3c(cc2C(=O)C1c1nc2ccccc2c(=O)n1-c1ccc(F)c(F)c1F)C(=O)N(c1ccccc1C1CCCC1)C3=O.O=C1c2cc3c(cc2C(=O)C1c1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N(c1ccc(C2CCCC2)cc1)C3=O.O=C1c2cc3cc4c(cc3cc2C(=O)C1c1nc2ccccc2c(=O)[nH]1)C(=O)N(c1ccc(C2CCCC2)cc1)C4=O.O=C1c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(C5CCCC5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C(=O)C1c1nc2ccccc2c(=O)[nH]1.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].
What is the InChIKey of pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane?
The InChIKey is WGJDXLXMXIPFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25F6N3O5.C37H27N3O5.C36H22F3N3O5.C36H26N4O7.C36H25N3O5.C34H23N3O5.C6H12.5C5H10.6Fe/c40-38(41,42)37(39(43,44)45,21-11-15-24-27(17-21)32(50)30(31(24)49)33-46-29-8-4-3-7-26(29)34(51)47-33)22-12-16-25-28(18-22)36(53)48(35(25)52)23-13-9-20(10-14-23)19-5-1-2-6-19;1-20-13-15-23(16-14-20)39-34(38-30-12-5-4-11-25(30)35(39)43)31-32(41)26-18-28-29(19-27(26)33(31)42)37(45)40(36(28)44)24-10-6-9-22(17-24)21-7-2-3-8-21;37-24-13-14-27(30(39)29(24)38)41-33(40-25-11-5-3-10-19(25)34(41)45)28-31(43)20-15-22-23(16-21(20)32(28)44)36(47)42(35(22)46)26-12-6-4-9-18(26)17-7-1-2-8-17;1-16-11-27(40(46)47)17(2)28-30(16)37-33(38-34(28)43)29-31(41)23-12-20-14-25-26(15-21(20)13-24(23)32(29)42)36(45)39(35(25)44)22-9-7-19(8-10-22)18-5-3-4-6-18;40-31-25-18-27-28(36(44)39(35(27)43)23-16-14-21(15-17-23)20-8-4-5-9-20)19-26(25)32(41)30(31)33-37-29-13-7-6-12-24(29)34(42)38(33)22-10-2-1-3-11-22;38-29-23-13-19-15-25-26(34(42)37(33(25)41)21-11-9-18(10-12-21)17-5-1-2-6-17)16-20(19)14-24(23)30(39)28(29)31-35-27-8-4-3-7-22(27)32(40)36-31;1-6-4-2-3-5-6;5*1-2-4-5-3-1;;;;;;/h3-4,7-19,30H,1-2,5-6H2,(H,46,47,51);4-6,9-19,21,31H,2-3,7-8H2,1H3;3-6,9-17,28H,1-2,7-8H2;7-15,18,29H,3-6H2,1-2H3,(H,37,38,43);1-3,6-7,10-20,30H,4-5,8-9H2;3-4,7-17,28H,1-2,5-6H2,(H,35,36,40);6H,2-5H2,1H3;5*1-5H2;;;;;;.
What are the key properties of pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane?
pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane has a molecular weight of 4486.57 g/mol, XLogP of 50.55, 24 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(cyclopentane);2-(4-cyclopentylphenyl)-7-(5,8-dimethyl-6-nitro-4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(4-cyclopentylphenyl)-5-[2-[1,3-dioxo-2-(4-oxo-3H-quinazolin-2-yl)inden-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;2-(3-cyclopentylphenyl)-6-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-6-(4-oxo-3-phenylquinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;2-(4-cyclopentylphenyl)-7-(4-oxo-3H-quinazolin-2-yl)indeno[5,6-f]isoindole-1,3,6,8-tetrone;2-(2-cyclopentylphenyl)-6-[4-oxo-3-(2,3,4-trifluorophenyl)quinazolin-2-yl]cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;methylcyclopentane is sourced from PubChem (CID 162285524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).