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

C33H22N2O4 — CID 155460089

IUPAC1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(C(c2ccc(-c3ccccc3)cc2)c2ccc(N3C(=O)C=CC3=O)cc2)cc1
InChIInChI=1S/C33H22N2O4/c36-29-18-19-30(37)34(29)27-14-10-25(11-15-27)33(24-8-6-23(7-9-24)22-4-2-1-3-5-22)26-12-16-28(17-13-26)35-31(38)20-21-32(35)39/h1-21,33H
InChIKeyRIOLHQDSHWOTED-UHFFFAOYSA-N
MW510.55 g/mol
LogP5.39
Rot. Bonds6

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

1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione (PubChem CID 155460089) has the molecular formula C33H22N2O4 and a molecular weight of 510.55 g/mol. Its IUPAC name is 1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione
PubChem CID155460089
Molecular FormulaC33H22N2O4
Molecular Weight510.55 g/mol
Exact Mass510.16
IUPAC Name1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(C(c2ccc(-c3ccccc3)cc2)c2ccc(N3C(=O)C=CC3=O)cc2)cc1
InChIInChI=1S/C33H22N2O4/c36-29-18-19-30(37)34(29)27-14-10-25(11-15-27)33(24-8-6-23(7-9-24)22-4-2-1-3-5-22)26-12-16-28(17-13-26)35-31(38)20-21-32(35)39/h1-21,33H
InChIKeyRIOLHQDSHWOTED-UHFFFAOYSA-N
XLogP5.39
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.55
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[4-[[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione
CID 155460051
methane;1-phenylpyrrole-2,5-dione
CID 174935875
1-(3-phenylphenyl)pyrrole-2,5-dione
CID 930984
1-[4-(dihydroxymethyl)phenyl]pyrrole-2,5-dione
CID 149391742
1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione
CID 20502008
1-[4-[[4-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 139363924
1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 170336263
1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 19737566
1-[4-[2-[4-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]phenyl]ethyl]phenyl]pyrrole-2,5-dione
CID 153418506
1-(4-silylphenyl)pyrrole-2,5-dione
CID 151993924
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111
1-[4-[4-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butyl]phenyl]phenyl]butyl]phenyl]pyrrole-2,5-dione
CID 153418521

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione (CID 155460089) is 1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(C(c2ccc(-c3ccccc3)cc2)c2ccc(N3C(=O)C=CC3=O)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione?
The InChIKey is RIOLHQDSHWOTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O4/c36-29-18-19-30(37)34(29)27-14-10-25(11-15-27)33(24-8-6-23(7-9-24)22-4-2-1-3-5-22)26-12-16-28(17-13-26)35-31(38)20-21-32(35)39/h1-21,33H.
What are the key properties of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione?
1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione has a molecular weight of 510.55 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 155460089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).