2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C34H34N4O8 — CID 156656803

IUPAC2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=C1C=CC(=O)N1CC1CCCCC1Cn1c(=O)c2cc3c(=O)n(CC4CCCCC4CN4C(=O)C=CC4=O)c(=O)c3cc2c1=O
InChIInChI=1S/C34H34N4O8/c39-27-9-10-28(40)35(27)15-19-5-1-3-7-21(19)17-37-31(43)23-13-25-26(14-24(23)32(37)44)34(46)38(33(25)45)18-22-8-4-2-6-20(22)16-36-29(41)11-12-30(36)42/h9-14,19-22H,1-8,15-18H2
InChIKeyZRXQFSUFBZHEMT-UHFFFAOYSA-N
MW626.67 g/mol
LogP1.38
Rot. Bonds8

About 2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 156656803) has the molecular formula C34H34N4O8 and a molecular weight of 626.67 g/mol. Its IUPAC name is 2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID156656803
Molecular FormulaC34H34N4O8
Molecular Weight626.67 g/mol
Exact Mass626.24
IUPAC Name2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=C1C=CC(=O)N1CC1CCCCC1Cn1c(=O)c2cc3c(=O)n(CC4CCCCC4CN4C(=O)C=CC4=O)c(=O)c3cc2c1=O
InChIInChI=1S/C34H34N4O8/c39-27-9-10-28(40)35(27)15-19-5-1-3-7-21(19)17-37-31(43)23-13-25-26(14-24(23)32(37)44)34(46)38(33(25)45)18-22-8-4-2-6-20(22)16-36-29(41)11-12-30(36)42/h9-14,19-22H,1-8,15-18H2
InChIKeyZRXQFSUFBZHEMT-UHFFFAOYSA-N
XLogP1.38
TPSA152.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.67
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 156656803) is 2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is O=C1C=CC(=O)N1CC1CCCCC1Cn1c(=O)c2cc3c(=O)n(CC4CCCCC4CN4C(=O)C=CC4=O)c(=O)c3cc2c1=O.
What is the InChIKey of 2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is ZRXQFSUFBZHEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O8/c39-27-9-10-28(40)35(27)15-19-5-1-3-7-21(19)17-37-31(43)23-13-25-26(14-24(23)32(37)44)34(46)38(33(25)45)18-22-8-4-2-6-20(22)16-36-29(41)11-12-30(36)42/h9-14,19-22H,1-8,15-18H2.
What are the key properties of 2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 626.67 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[[2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 156656803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).