1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione

C18H10Br2N2O2 — CID 170924030

IUPAC1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SMILESO=C1N=C(c2ccc(Br)cc2)C2=C1C(c1ccc(Br)cc1)NC2=O
InChIInChI=1S/C18H10Br2N2O2/c19-11-5-1-9(2-6-11)15-13-14(18(24)21-15)16(22-17(13)23)10-3-7-12(20)8-4-10/h1-8,15H,(H,21,24)
InChIKeyFEEYKOGXNNEDLJ-UHFFFAOYSA-N
MW446.10 g/mol
LogP3.71
Rot. Bonds2

About 1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione

1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione (PubChem CID 170924030) has the molecular formula C18H10Br2N2O2 and a molecular weight of 446.10 g/mol. Its IUPAC name is 1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione.

Molecular Properties

Compound Name1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
PubChem CID170924030
Molecular FormulaC18H10Br2N2O2
Molecular Weight446.10 g/mol
Exact Mass443.91
IUPAC Name1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SMILESO=C1N=C(c2ccc(Br)cc2)C2=C1C(c1ccc(Br)cc1)NC2=O
InChIInChI=1S/C18H10Br2N2O2/c19-11-5-1-9(2-6-11)15-13-14(18(24)21-15)16(22-17(13)23)10-3-7-12(20)8-4-10/h1-8,15H,(H,21,24)
InChIKeyFEEYKOGXNNEDLJ-UHFFFAOYSA-N
XLogP3.71
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.10
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromophenyl)-4,6-bis(4-chlorophenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 45112828
2-(4-bromophenyl)-1,4-diazaspiro[4.4]nonan-3-one;3-(4-bromophenyl)-1,4-diazaspiro[4.4]non-3-en-2-one
CID 158589829
(5R)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 1112398
4-(4-bromophenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
CID 2831718
4-(4-bromophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 46242825
(4R)-N-(4-bromophenyl)-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1111572
4-amino-5-(4-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79961557
2-(4-bromophenyl)-1,3-thiazolidin-4-one
CID 102552104
(5S)-5-(4-bromophenyl)morpholin-3-one
CID 124583230
(4S)-4-(4-bromophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7959734
(4R)-5-(1,3-benzothiazol-2-yl)-4-(4-bromophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135895571
4-(4-bromophenyl)-1-(3,5-dimethylphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 73441441

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione?
The IUPAC name of 1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione (CID 170924030) is 1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione.
What is the SMILES notation for 1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione?
The canonical SMILES for 1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione is O=C1N=C(c2ccc(Br)cc2)C2=C1C(c1ccc(Br)cc1)NC2=O.
What is the InChIKey of 1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione?
The InChIKey is FEEYKOGXNNEDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2N2O2/c19-11-5-1-9(2-6-11)15-13-14(18(24)21-15)16(22-17(13)23)10-3-7-12(20)8-4-10/h1-8,15H,(H,21,24).
What are the key properties of 1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione?
1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione has a molecular weight of 446.10 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-bromophenyl)-1,2-dihydropyrrolo[3,4-c]pyrrole-3,6-dione is sourced from PubChem (CID 170924030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).