[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid

C287H277F2N15O48 — CID 159648236

IUPAC[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid
SMILESCC1CCC(CC(=O)c2ccc3c4ccc(OC=O)c5c(C(=O)NC6CCC(C)CC6)ccc(c6ccc(C(=O)O)c2c63)c54)CC1.CC1CCC(N2C(=O)c3ccc(OC=O)c4c(C(=O)NC5CCCCC5)ccc(c34)C2=O)CC1.CC1CCC(NC(=O)c2ccc3c4c(ccc(OC=O)c24)C(=O)N(C2CCCCC2)C3=O)CC1.CCCCCC1CCC(N2C(=O)c3ccc(OC=O)c4c(C(=O)NC5CCCCC5)ccc(c34)C2=O)CC1.CCCCCCCCCCCCNC(=O)c1ccc2c3c(ccc(COC=O)c13)C(=O)N(C1CCCCC1)C2=O.Cc1ccc(CC(=O)c2ccc3c4ccc(OC=O)c5c(C(=O)Nc6ccc(C)cc6)ccc(c6ccc(C(=O)O)c2c63)c54)cc1.O=COc1ccc2c3c(ccc(C(=O)NC4CCCCC4)c13)C(=O)N(c1ccccc1)C2=O.O=COc1ccc2c3c(ccc(C(=O)NCCc4ccccc4)c13)C(=O)N(C1CCCCC1)C2=O.O=COc1ccc2c3ccc(C(=O)Cc4ccc(F)cc4)c4c(C(=O)O)ccc(c5ccc(C(=O)Nc6ccc(F)cc6)c1c52)c43
InChIInChI=1S/C39H39NO6.C39H27NO6.C37H21F2NO6.C33H44N2O5.C31H38N2O5.C28H26N2O5.2C27H30N2O5.C26H22N2O5/c2*1-21-3-7-23(8-4-21)19-32(42)29-14-11-25-28-17-18-33(46-20-41)37-30(38(43)40-24-9-5-22(2)6-10-24)15-12-27(35(28)37)26-13-16-31(39(44)45)36(29)34(25)26;38-20-3-1-19(2-4-20)17-30(42)27-12-9-23-26-15-16-31(46-18-41)35-28(36(43)40-22-7-5-21(39)6-8-22)13-10-25(33(26)35)24-11-14-29(37(44)45)34(27)32(23)24;1-2-3-4-5-6-7-8-9-10-14-21-34-31(37)26-19-20-28-30-27(18-17-24(29(26)30)22-40-23-36)32(38)35(33(28)39)25-15-12-11-13-16-25;1-2-3-5-8-20-11-13-22(14-12-20)33-30(36)24-16-15-23(29(35)32-21-9-6-4-7-10-21)28-26(38-19-34)18-17-25(27(24)28)31(33)37;31-17-35-23-14-13-22-24-21(27(33)30(28(22)34)19-9-5-2-6-10-19)12-11-20(25(23)24)26(32)29-16-15-18-7-3-1-4-8-18;1-16-7-9-17(10-8-16)28-25(31)19-11-12-20-23-21(13-14-22(24(19)23)34-15-30)27(33)29(26(20)32)18-5-3-2-4-6-18;1-16-7-9-18(10-8-16)29-26(32)20-12-11-19(25(31)28-17-5-3-2-4-6-17)24-22(34-15-30)14-13-21(23(20)24)27(29)33;29-15-33-21-14-13-20-22-19(25(31)28(26(20)32)17-9-5-2-6-10-17)12-11-18(23(21)22)24(30)27-16-7-3-1-4-8-16/h11-18,20-24H,3-10,19H2,1-2H3,(H,40,43)(H,44,45);3-18,20H,19H2,1-2H3,(H,40,43)(H,44,45);1-16,18H,17H2,(H,40,43)(H,44,45);17-20,23,25H,2-16,21-22H2,1H3,(H,34,37);15-22H,2-14H2,1H3,(H,32,35);1,3-4,7-8,11-14,17,19H,2,5-6,9-10,15-16H2,(H,29,32);2*11-18H,2-10H2,1H3,(H,28,31);2,5-6,9-16H,1,3-4,7-8H2,(H,27,30)
InChIKeyMRFNKAQMUQCBHN-UHFFFAOYSA-N
MW4742.43 g/mol
LogP55.87
Rot. Bonds71

About [7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid

[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid (PubChem CID 159648236) has the molecular formula C287H277F2N15O48 and a molecular weight of 4742.43 g/mol. Its IUPAC name is [7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid.

Molecular Properties

Compound Name[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid
PubChem CID159648236
Molecular FormulaC287H277F2N15O48
Molecular Weight4742.43 g/mol
Exact Mass4738.97
IUPAC Name[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid
SMILESCC1CCC(CC(=O)c2ccc3c4ccc(OC=O)c5c(C(=O)NC6CCC(C)CC6)ccc(c6ccc(C(=O)O)c2c63)c54)CC1.CC1CCC(N2C(=O)c3ccc(OC=O)c4c(C(=O)NC5CCCCC5)ccc(c34)C2=O)CC1.CC1CCC(NC(=O)c2ccc3c4c(ccc(OC=O)c24)C(=O)N(C2CCCCC2)C3=O)CC1.CCCCCC1CCC(N2C(=O)c3ccc(OC=O)c4c(C(=O)NC5CCCCC5)ccc(c34)C2=O)CC1.CCCCCCCCCCCCNC(=O)c1ccc2c3c(ccc(COC=O)c13)C(=O)N(C1CCCCC1)C2=O.Cc1ccc(CC(=O)c2ccc3c4ccc(OC=O)c5c(C(=O)Nc6ccc(C)cc6)ccc(c6ccc(C(=O)O)c2c63)c54)cc1.O=COc1ccc2c3c(ccc(C(=O)NC4CCCCC4)c13)C(=O)N(c1ccccc1)C2=O.O=COc1ccc2c3c(ccc(C(=O)NCCc4ccccc4)c13)C(=O)N(C1CCCCC1)C2=O.O=COc1ccc2c3ccc(C(=O)Cc4ccc(F)cc4)c4c(C(=O)O)ccc(c5ccc(C(=O)Nc6ccc(F)cc6)c1c52)c43
InChIInChI=1S/C39H39NO6.C39H27NO6.C37H21F2NO6.C33H44N2O5.C31H38N2O5.C28H26N2O5.2C27H30N2O5.C26H22N2O5/c2*1-21-3-7-23(8-4-21)19-32(42)29-14-11-25-28-17-18-33(46-20-41)37-30(38(43)40-24-9-5-22(2)6-10-24)15-12-27(35(28)37)26-13-16-31(39(44)45)36(29)34(25)26;38-20-3-1-19(2-4-20)17-30(42)27-12-9-23-26-15-16-31(46-18-41)35-28(36(43)40-22-7-5-21(39)6-8-22)13-10-25(33(26)35)24-11-14-29(37(44)45)34(27)32(23)24;1-2-3-4-5-6-7-8-9-10-14-21-34-31(37)26-19-20-28-30-27(18-17-24(29(26)30)22-40-23-36)32(38)35(33(28)39)25-15-12-11-13-16-25;1-2-3-5-8-20-11-13-22(14-12-20)33-30(36)24-16-15-23(29(35)32-21-9-6-4-7-10-21)28-26(38-19-34)18-17-25(27(24)28)31(33)37;31-17-35-23-14-13-22-24-21(27(33)30(28(22)34)19-9-5-2-6-10-19)12-11-20(25(23)24)26(32)29-16-15-18-7-3-1-4-8-18;1-16-7-9-17(10-8-16)28-25(31)19-11-12-20-23-21(13-14-22(24(19)23)34-15-30)27(33)29(26(20)32)18-5-3-2-4-6-18;1-16-7-9-18(10-8-16)29-26(32)20-12-11-19(25(31)28-17-5-3-2-4-6-17)24-22(34-15-30)14-13-21(23(20)24)27(29)33;29-15-33-21-14-13-20-22-19(25(31)28(26(20)32)17-9-5-2-6-10-17)12-11-18(23(21)22)24(30)27-16-7-3-1-4-8-16/h11-18,20-24H,3-10,19H2,1-2H3,(H,40,43)(H,44,45);3-18,20H,19H2,1-2H3,(H,40,43)(H,44,45);1-16,18H,17H2,(H,40,43)(H,44,45);17-20,23,25H,2-16,21-22H2,1H3,(H,34,37);15-22H,2-14H2,1H3,(H,32,35);1,3-4,7-8,11-14,17,19H,2,5-6,9-10,15-16H2,(H,29,32);2*11-18H,2-10H2,1H3,(H,28,31);2,5-6,9-16H,1,3-4,7-8H2,(H,27,30)
InChIKeyMRFNKAQMUQCBHN-UHFFFAOYSA-N
XLogP55.87
TPSA885.99 Ų
H-Bond Donors12
H-Bond Acceptors45
Rotatable Bonds71
Heavy Atoms352
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004742.43
LogP ≤ 555.87
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1045

Analyze [7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid?
The IUPAC name of [7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid (CID 159648236) is [7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid.
What is the SMILES notation for [7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid?
The canonical SMILES for [7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid is CC1CCC(CC(=O)c2ccc3c4ccc(OC=O)c5c(C(=O)NC6CCC(C)CC6)ccc(c6ccc(C(=O)O)c2c63)c54)CC1.CC1CCC(N2C(=O)c3ccc(OC=O)c4c(C(=O)NC5CCCCC5)ccc(c34)C2=O)CC1.CC1CCC(NC(=O)c2ccc3c4c(ccc(OC=O)c24)C(=O)N(C2CCCCC2)C3=O)CC1.CCCCCC1CCC(N2C(=O)c3ccc(OC=O)c4c(C(=O)NC5CCCCC5)ccc(c34)C2=O)CC1.CCCCCCCCCCCCNC(=O)c1ccc2c3c(ccc(COC=O)c13)C(=O)N(C1CCCCC1)C2=O.Cc1ccc(CC(=O)c2ccc3c4ccc(OC=O)c5c(C(=O)Nc6ccc(C)cc6)ccc(c6ccc(C(=O)O)c2c63)c54)cc1.O=COc1ccc2c3c(ccc(C(=O)NC4CCCCC4)c13)C(=O)N(c1ccccc1)C2=O.O=COc1ccc2c3c(ccc(C(=O)NCCc4ccccc4)c13)C(=O)N(C1CCCCC1)C2=O.O=COc1ccc2c3ccc(C(=O)Cc4ccc(F)cc4)c4c(C(=O)O)ccc(c5ccc(C(=O)Nc6ccc(F)cc6)c1c52)c43.
What is the InChIKey of [7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid?
The InChIKey is MRFNKAQMUQCBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39NO6.C39H27NO6.C37H21F2NO6.C33H44N2O5.C31H38N2O5.C28H26N2O5.2C27H30N2O5.C26H22N2O5/c2*1-21-3-7-23(8-4-21)19-32(42)29-14-11-25-28-17-18-33(46-20-41)37-30(38(43)40-24-9-5-22(2)6-10-24)15-12-27(35(28)37)26-13-16-31(39(44)45)36(29)34(25)26;38-20-3-1-19(2-4-20)17-30(42)27-12-9-23-26-15-16-31(46-18-41)35-28(36(43)40-22-7-5-21(39)6-8-22)13-10-25(33(26)35)24-11-14-29(37(44)45)34(27)32(23)24;1-2-3-4-5-6-7-8-9-10-14-21-34-31(37)26-19-20-28-30-27(18-17-24(29(26)30)22-40-23-36)32(38)35(33(28)39)25-15-12-11-13-16-25;1-2-3-5-8-20-11-13-22(14-12-20)33-30(36)24-16-15-23(29(35)32-21-9-6-4-7-10-21)28-26(38-19-34)18-17-25(27(24)28)31(33)37;31-17-35-23-14-13-22-24-21(27(33)30(28(22)34)19-9-5-2-6-10-19)12-11-20(25(23)24)26(32)29-16-15-18-7-3-1-4-8-18;1-16-7-9-17(10-8-16)28-25(31)19-11-12-20-23-21(13-14-22(24(19)23)34-15-30)27(33)29(26(20)32)18-5-3-2-4-6-18;1-16-7-9-18(10-8-16)29-26(32)20-12-11-19(25(31)28-17-5-3-2-4-6-17)24-22(34-15-30)14-13-21(23(20)24)27(29)33;29-15-33-21-14-13-20-22-19(25(31)28(26(20)32)17-9-5-2-6-10-17)12-11-18(23(21)22)24(30)27-16-7-3-1-4-8-16/h11-18,20-24H,3-10,19H2,1-2H3,(H,40,43)(H,44,45);3-18,20H,19H2,1-2H3,(H,40,43)(H,44,45);1-16,18H,17H2,(H,40,43)(H,44,45);17-20,23,25H,2-16,21-22H2,1H3,(H,34,37);15-22H,2-14H2,1H3,(H,32,35);1,3-4,7-8,11-14,17,19H,2,5-6,9-10,15-16H2,(H,29,32);2*11-18H,2-10H2,1H3,(H,28,31);2,5-6,9-16H,1,3-4,7-8H2,(H,27,30).
What are the key properties of [7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid?
[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid has a molecular weight of 4742.43 g/mol, XLogP of 55.87, 71 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclohexylcarbamoyl)-1,3-dioxo-2-(4-pentylcyclohexyl)benzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-1,3-dioxo-2-phenylbenzo[de]isoquinolin-6-yl] formate;[7-(cyclohexylcarbamoyl)-2-(4-methylcyclohexyl)-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-1,3-dioxo-7-(2-phenylethylcarbamoyl)benzo[de]isoquinolin-6-yl] formate;[2-cyclohexyl-7-(dodecylcarbamoyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]methyl formate;[2-cyclohexyl-7-[(4-methylcyclohexyl)carbamoyl]-1,3-dioxobenzo[de]isoquinolin-6-yl] formate;4-[2-(4-fluorophenyl)acetyl]-10-[(4-fluorophenyl)carbamoyl]-9-formyloxyperylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylcyclohexyl)acetyl]-10-[(4-methylcyclohexyl)carbamoyl]perylene-3-carboxylic acid;9-formyloxy-4-[2-(4-methylphenyl)acetyl]-10-[(4-methylphenyl)carbamoyl]perylene-3-carboxylic acid is sourced from PubChem (CID 159648236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).