ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione

C170H170N8O24 — CID 160507152

About ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione

ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione (PubChem CID 160507152) has the molecular formula C170H170N8O24 and a molecular weight of 2709.26 g/mol. Its IUPAC name is ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione
• PubChem CID: 160507152
• Molecular Formula: C170H170N8O24
• Molecular Weight: 2709.26 g/mol
• Exact Mass: 2707.23
• IUPAC Name: ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN1C(=O)c2ccc(CC3=CC4C(=O)C=C(c5ccc(Cc6ccc7c(c6)C(=O)N(CC)C7=O)cc5)OC4C=C3)cc2C1=O.CCN1C(=O)c2ccc(Cc3ccc(-c4cc5cc(Cc6ccc7c(c6)C(=O)N(CC)C7=O)ccc5oc4=O)cc3)cc2C1=O.CCN1C(=O)c2ccc(Cc3ccc(-c4cc5ccc(Cc6ccc7c(c6)C(=O)N(CC)C7=O)cc5oc4=O)cc3)cc2C1=O.CCN1C(=O)c2ccc(Cc3ccc4cc(-c5cc6ccc(Cc7ccc8c(c7)C(=O)N(CC)C8=O)cc6oc5=O)ccc4c3)cc2C1=O
• InChI: InChI=1S/C41H30N2O6.2C37H28N2O6.C37H30N2O6.9C2H6/c1-3-42-37(44)31-13-7-24(18-34(31)39(42)46)15-23-5-9-28-21-29(12-11-27(28)17-23)33-22-30-10-6-26(20-36(30)49-41(33)48)16-25-8-14-32-35(19-25)40(47)43(4-2)38(32)45;1-3-38-33(40)27-12-7-23(18-30(27)35(38)42)15-21-5-10-25(11-6-21)29-20-26-17-22(9-14-32(26)45-37(29)44)16-24-8-13-28-31(19-24)36(43)39(4-2)34(28)41;1-3-38-33(40)27-13-8-22(17-30(27)35(38)42)15-21-5-10-25(11-6-21)29-20-26-12-7-24(19-32(26)45-37(29)44)16-23-9-14-28-31(18-23)36(43)39(4-2)34(28)41;1-3-38-34(41)26-12-7-22(17-28(26)36(38)43)15-21-5-10-25(11-6-21)33-20-31(40)30-19-24(9-14-32(30)45-33)16-23-8-13-27-29(18-23)37(44)39(4-2)35(27)42;9*1-2/h5-14,17-22H,3-4,15-16H2,1-2H3;2*5-14,17-20H,3-4,15-16H2,1-2H3;5-14,17-20,30,32H,3-4,15-16H2,1-2H3;9*1-2H3
• InChIKey: QSOHFSOHXXDFNT-UHFFFAOYSA-N
• XLogP: 33.18
• TPSA: 415.97 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2709.26
LogP ≤ 5	33.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione?

The IUPAC name of ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione (CID 160507152) is ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione.

What is the SMILES notation for ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione?

The canonical SMILES for ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione is CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN1C(=O)c2ccc(CC3=CC4C(=O)C=C(c5ccc(Cc6ccc7c(c6)C(=O)N(CC)C7=O)cc5)OC4C=C3)cc2C1=O.CCN1C(=O)c2ccc(Cc3ccc(-c4cc5cc(Cc6ccc7c(c6)C(=O)N(CC)C7=O)ccc5oc4=O)cc3)cc2C1=O.CCN1C(=O)c2ccc(Cc3ccc(-c4cc5ccc(Cc6ccc7c(c6)C(=O)N(CC)C7=O)cc5oc4=O)cc3)cc2C1=O.CCN1C(=O)c2ccc(Cc3ccc4cc(-c5cc6ccc(Cc7ccc8c(c7)C(=O)N(CC)C8=O)cc6oc5=O)ccc4c3)cc2C1=O.

What is the InChIKey of ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione?

The InChIKey is QSOHFSOHXXDFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2O6.2C37H28N2O6.C37H30N2O6.9C2H6/c1-3-42-37(44)31-13-7-24(18-34(31)39(42)46)15-23-5-9-28-21-29(12-11-27(28)17-23)33-22-30-10-6-26(20-36(30)49-41(33)48)16-25-8-14-32-35(19-25)40(47)43(4-2)38(32)45;1-3-38-33(40)27-12-7-23(18-30(27)35(38)42)15-21-5-10-25(11-6-21)29-20-26-17-22(9-14-32(26)45-37(29)44)16-24-8-13-28-31(19-24)36(43)39(4-2)34(28)41;1-3-38-33(40)27-13-8-22(17-30(27)35(38)42)15-21-5-10-25(11-6-21)29-20-26-12-7-24(19-32(26)45-37(29)44)16-23-9-14-28-31(18-23)36(43)39(4-2)34(28)41;1-3-38-34(41)26-12-7-22(17-28(26)36(38)43)15-21-5-10-25(11-6-21)33-20-31(40)30-19-24(9-14-32(30)45-33)16-23-8-13-27-29(18-23)37(44)39(4-2)35(27)42;9*1-2/h5-14,17-22H,3-4,15-16H2,1-2H3;2*5-14,17-20H,3-4,15-16H2,1-2H3;5-14,17-20,30,32H,3-4,15-16H2,1-2H3;9*1-2H3.

What are the key properties of ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione?

ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione has a molecular weight of 2709.26 g/mol, XLogP of 33.18, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-4-oxo-4a,8a-dihydrochromen-2-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[6-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]naphthalen-2-yl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[6-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione;2-ethyl-5-[[4-[7-[(2-ethyl-1,3-dioxoisoindol-5-yl)methyl]-2-oxochromen-3-yl]phenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 160507152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).