4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione)

C314H355N13O52 — CID 159196903

About 4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione)

4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione) (PubChem CID 159196903) has the molecular formula C314H355N13O52 and a molecular weight of 5143.33 g/mol. Its IUPAC name is 4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione).

Molecular Properties

• Compound Name: 4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione)
• PubChem CID: 159196903
• Molecular Formula: C314H355N13O52
• Molecular Weight: 5143.33 g/mol
• Exact Mass: 5139.55
• IUPAC Name: 4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione)
• SMILES: C=COCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC=C)cc3)c(C)c2)cc1.C=COCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC=C)cc3)c(C)c2)cc1.CCCC1CCC(C2CCC(c3ccc(OCN4C(=O)C=CC4=O)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(OCN4C(=O)C=CC4=O)cc3)CC2)CC1.CCCC1CCC(c2ccc(OCN3C(=O)C=CC3=O)cc2)CC1.CCCC1CCC(c2ccc(OCN3C(=O)C=CC3=O)cc2)CC1.CCCCCC1CCC(c2ccc(OCN3C(=O)C=CC3=O)cc2)CC1.CCCCCC1CCC(c2ccc(OCN3C(=O)C=CC3=O)cc2)CC1.CCCCCC1CCC(c2ccc(OCN3C(=O)C=CC3=O)cc2)CC1.CCCCCc1ccc(-c2ccc(OCN3C(=O)C=CC3=O)cc2)cc1.CCCCCc1ccc(-c2ccc(OCN3C(=O)C=CC3=O)cc2)cc1.CCCc1ccc(-c2ccc(OCN3C(=O)C=CC3=O)cc2)cc1.CCCc1ccc(-c2ccc(OCN3C(=O)C=CC3=O)cc2)cc1.N#Cc1ccc(-c2ccc(OCN3C(=O)C=CC3=O)cc2)cc1
• InChI: InChI=1S/2C27H26O8.2C26H35NO3.3C22H29NO3.2C22H23NO3.2C20H25NO3.2C20H19NO3.C18H12N2O3/c2*1-4-29-17-31-22-8-6-21(7-9-22)27(28)35-26-15-14-25(16-20(26)3)34-19-33-24-12-10-23(11-13-24)32-18-30-5-2;2*1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)30-18-27-25(28)16-17-26(27)29;5*1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)26-16-23-21(24)14-15-22(23)25;4*1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)24-14-21-19(22)12-13-20(21)23;19-11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)23-12-20-17(21)9-10-18(20)22/h2*4-16H,1-2,17-19H2,3H3;2*12-17,19-22H,2-11,18H2,1H3;3*10-15,17-18H,2-9,16H2,1H3;2*6-15H,2-5,16H2,1H3;2*8-13,15-16H,2-7,14H2,1H3;2*4-13H,2-3,14H2,1H3;1-10H,12H2
• InChIKey: KOTSRDYDVBKNRT-UHFFFAOYSA-N
• XLogP: 63.67
• TPSA: 746.47 Ų
• H-Bond Acceptors: 53
• Rotatable Bonds: 110
• Heavy Atoms: 379
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5143.33
LogP ≤ 5	63.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione)?

The IUPAC name of 4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione) (CID 159196903) is 4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione).

What is the SMILES notation for 4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione)?

The canonical SMILES for 4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione) is C=COCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC=C)cc3)c(C)c2)cc1.C=COCOc1ccc(OCOc2ccc(OC(=O)c3ccc(OCOC=C)cc3)c(C)c2)cc1.CCCC1CCC(C2CCC(c3ccc(OCN4C(=O)C=CC4=O)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(OCN4C(=O)C=CC4=O)cc3)CC2)CC1.CCCC1CCC(c2ccc(OCN3C(=O)C=CC3=O)cc2)CC1.CCCC1CCC(c2ccc(OCN3C(=O)C=CC3=O)cc2)CC1.CCCCCC1CCC(c2ccc(OCN3C(=O)C=CC3=O)cc2)CC1.CCCCCC1CCC(c2ccc(OCN3C(=O)C=CC3=O)cc2)CC1.CCCCCC1CCC(c2ccc(OCN3C(=O)C=CC3=O)cc2)CC1.CCCCCc1ccc(-c2ccc(OCN3C(=O)C=CC3=O)cc2)cc1.CCCCCc1ccc(-c2ccc(OCN3C(=O)C=CC3=O)cc2)cc1.CCCc1ccc(-c2ccc(OCN3C(=O)C=CC3=O)cc2)cc1.CCCc1ccc(-c2ccc(OCN3C(=O)C=CC3=O)cc2)cc1.N#Cc1ccc(-c2ccc(OCN3C(=O)C=CC3=O)cc2)cc1.

What is the InChIKey of 4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione)?

The InChIKey is KOTSRDYDVBKNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H26O8.2C26H35NO3.3C22H29NO3.2C22H23NO3.2C20H25NO3.2C20H19NO3.C18H12N2O3/c2*1-4-29-17-31-22-8-6-21(7-9-22)27(28)35-26-15-14-25(16-20(26)3)34-19-33-24-12-10-23(11-13-24)32-18-30-5-2;2*1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)30-18-27-25(28)16-17-26(27)29;5*1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)26-16-23-21(24)14-15-22(23)25;4*1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)24-14-21-19(22)12-13-20(21)23;19-11-13-1-3-14(4-2-13)15-5-7-16(8-6-15)23-12-20-17(21)9-10-18(20)22/h2*4-16H,1-2,17-19H2,3H3;2*12-17,19-22H,2-11,18H2,1H3;3*10-15,17-18H,2-9,16H2,1H3;2*6-15H,2-5,16H2,1H3;2*8-13,15-16H,2-7,14H2,1H3;2*4-13H,2-3,14H2,1H3;1-10H,12H2.

What are the key properties of 4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione)?

4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione) has a molecular weight of 5143.33 g/mol, XLogP of 63.67, 110 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2,5-dioxopyrrol-1-yl)methoxy]phenyl]benzonitrile;bis([4-[[4-(ethenoxymethoxy)phenoxy]methoxy]-2-methylphenyl] 4-(ethenoxymethoxy)benzoate);tris(1-[[4-(4-pentylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-pentylphenyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylcyclohexyl)phenoxy]methyl]pyrrole-2,5-dione);bis(1-[[4-(4-propylphenyl)phenoxy]methyl]pyrrole-2,5-dione) is sourced from PubChem (CID 159196903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).