1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione

C44H30N4O10 — CID 141170015

IUPAC1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
SMILESCc1cc(-c2cc(C)c(Oc3ccc(N4C(=O)C=CC4=O)cc3N3C(=O)C=CC3=O)c(C)c2)cc(C)c1Oc1ccc(N2C(=O)C=CC2=O)cc1N1C(=O)C=CC1=O
InChIInChI=1S/C44H30N4O10/c1-23-17-27(18-24(2)43(23)57-33-7-5-29(45-35(49)9-10-36(45)50)21-31(33)47-39(53)13-14-40(47)54)28-19-25(3)44(26(4)20-28)58-34-8-6-30(46-37(51)11-12-38(46)52)22-32(34)48-41(55)15-16-42(48)56/h5-22H,1-4H3
InChIKeyGSBKFCXCBAINBY-UHFFFAOYSA-N
MW774.74 g/mol
LogP5.89
Rot. Bonds9

About 1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione

1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione (PubChem CID 141170015) has the molecular formula C44H30N4O10 and a molecular weight of 774.74 g/mol. Its IUPAC name is 1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
PubChem CID141170015
Molecular FormulaC44H30N4O10
Molecular Weight774.74 g/mol
Exact Mass774.20
IUPAC Name1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
SMILESCc1cc(-c2cc(C)c(Oc3ccc(N4C(=O)C=CC4=O)cc3N3C(=O)C=CC3=O)c(C)c2)cc(C)c1Oc1ccc(N2C(=O)C=CC2=O)cc1N1C(=O)C=CC1=O
InChIInChI=1S/C44H30N4O10/c1-23-17-27(18-24(2)43(23)57-33-7-5-29(45-35(49)9-10-36(45)50)21-31(33)47-39(53)13-14-40(47)54)28-19-25(3)44(26(4)20-28)58-34-8-6-30(46-37(51)11-12-38(46)52)22-32(34)48-41(55)15-16-42(48)56/h5-22H,1-4H3
InChIKeyGSBKFCXCBAINBY-UHFFFAOYSA-N
XLogP5.89
TPSA167.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.74
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[2-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-dimethylphenoxy]phenyl]pyrrole-2,5-dione
CID 141169965
1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione
CID 112708489
1-[4-[2-(2,5-dioxopyrrol-1-yl)-4-[2-[3-(2,5-dioxopyrrol-1-yl)-4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 141170010
1-(4-methoxy-3-nitrophenyl)pyrrole-2,5-dione
CID 3299565
1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-3-(trifluoromethyl)phenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 21475608
1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 19737566
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione
CID 141170020
1-[4-(2,5-dioxopyrrol-1-yl)-3-nitrophenyl]pyrrole-2,5-dione
CID 70397403
1-[4-(2,5-dioxopyrrol-1-yl)naphthalen-2-yl]pyrrole-2,5-dione
CID 22712689
1-[3-[3-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
CID 69052186
ethane;1-(2-methylphenyl)pyrrole-2,5-dione
CID 67631676
1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane
CID 160652387

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione (CID 141170015) is 1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione is Cc1cc(-c2cc(C)c(Oc3ccc(N4C(=O)C=CC4=O)cc3N3C(=O)C=CC3=O)c(C)c2)cc(C)c1Oc1ccc(N2C(=O)C=CC2=O)cc1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
The InChIKey is GSBKFCXCBAINBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O10/c1-23-17-27(18-24(2)43(23)57-33-7-5-29(45-35(49)9-10-36(45)50)21-31(33)47-39(53)13-14-40(47)54)28-19-25(3)44(26(4)20-28)58-34-8-6-30(46-37(51)11-12-38(46)52)22-32(34)48-41(55)15-16-42(48)56/h5-22H,1-4H3.
What are the key properties of 1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione has a molecular weight of 774.74 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-[2,4-bis(2,5-dioxopyrrol-1-yl)phenoxy]-3,5-dimethylphenyl]-2,6-dimethylphenoxy]-3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 141170015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).