2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C41H24N4O8 — CID 134372814

IUPAC2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(Cc2ccc(-n3c(=O)c4cc5c(=O)n(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(C)C9=O)cc7C6=O)c(=O)c5cc4c3=O)cc2)cc1
InChIInChI=1S/C41H24N4O8/c1-20-3-5-21(6-4-20)15-22-7-11-25(12-8-22)43-36(48)30-18-32-33(19-31(30)37(43)49)41(53)45(40(32)52)44-38(50)27-14-10-24(17-29(27)39(44)51)23-9-13-26-28(16-23)35(47)42(2)34(26)46/h3-14,16-19H,15H2,1-2H3
InChIKeyHJDRLFDRBSLLPK-UHFFFAOYSA-N
MW700.66 g/mol
LogP3.63
Rot. Bonds5

About 2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 134372814) has the molecular formula C41H24N4O8 and a molecular weight of 700.66 g/mol. Its IUPAC name is 2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID134372814
Molecular FormulaC41H24N4O8
Molecular Weight700.66 g/mol
Exact Mass700.16
IUPAC Name2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(Cc2ccc(-n3c(=O)c4cc5c(=O)n(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(C)C9=O)cc7C6=O)c(=O)c5cc4c3=O)cc2)cc1
InChIInChI=1S/C41H24N4O8/c1-20-3-5-21(6-4-20)15-22-7-11-25(12-8-22)43-36(48)30-18-32-33(19-31(30)37(43)49)41(53)45(40(32)52)44-38(50)27-14-10-24(17-29(27)39(44)51)23-9-13-26-28(16-23)35(47)42(2)34(26)46/h3-14,16-19H,15H2,1-2H3
InChIKeyHJDRLFDRBSLLPK-UHFFFAOYSA-N
XLogP3.63
TPSA152.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500700.66
LogP ≤ 53.63
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-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 134372814) is 2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1ccc(Cc2ccc(-n3c(=O)c4cc5c(=O)n(N6C(=O)c7ccc(-c8ccc9c(c8)C(=O)N(C)C9=O)cc7C6=O)c(=O)c5cc4c3=O)cc2)cc1.
What is the InChIKey of 2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is HJDRLFDRBSLLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4O8/c1-20-3-5-21(6-4-20)15-22-7-11-25(12-8-22)43-36(48)30-18-32-33(19-31(30)37(43)49)41(53)45(40(32)52)44-38(50)27-14-10-24(17-29(27)39(44)51)23-9-13-26-28(16-23)35(47)42(2)34(26)46/h3-14,16-19H,15H2,1-2H3.
What are the key properties of 2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 700.66 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 134372814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).