1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione

C40H36N2O4 — CID 153418521

IUPAC1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(CCCCc2ccc(-c3ccc(CCCCc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C40H36N2O4/c43-37-25-26-38(44)41(37)35-21-13-31(14-22-35)7-3-1-5-29-9-17-33(18-10-29)34-19-11-30(12-20-34)6-2-4-8-32-15-23-36(24-16-32)42-39(45)27-28-40(42)46/h9-28H,1-8H2
InChIKeySDVUYMNOSRHUDN-UHFFFAOYSA-N
MW608.74 g/mol
LogP7.34
Rot. Bonds13

About 1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione

1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione (PubChem CID 153418521) has the molecular formula C40H36N2O4 and a molecular weight of 608.74 g/mol. Its IUPAC name is 1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione
PubChem CID153418521
Molecular FormulaC40H36N2O4
Molecular Weight608.74 g/mol
Exact Mass608.27
IUPAC Name1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(CCCCc2ccc(-c3ccc(CCCCc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C40H36N2O4/c43-37-25-26-38(44)41(37)35-21-13-31(14-22-35)7-3-1-5-29-9-17-33(18-10-29)34-19-11-30(12-20-34)6-2-4-8-32-15-23-36(24-16-32)42-39(45)27-28-40(42)46/h9-28H,1-8H2
InChIKeySDVUYMNOSRHUDN-UHFFFAOYSA-N
XLogP7.34
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.74
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione (CID 153418521) is 1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(CCCCc2ccc(-c3ccc(CCCCc4ccc(N5C(=O)C=CC5=O)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione?
The InChIKey is SDVUYMNOSRHUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2O4/c43-37-25-26-38(44)41(37)35-21-13-31(14-22-35)7-3-1-5-29-9-17-33(18-10-29)34-19-11-30(12-20-34)6-2-4-8-32-15-23-36(24-16-32)42-39(45)27-28-40(42)46/h9-28H,1-8H2.
What are the key properties of 1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione?
1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione has a molecular weight of 608.74 g/mol, XLogP of 7.34, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 153418521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).