3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine

C60H48I2N6O6 — CID 159771028

IUPAC3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine
SMILESCc1ccc(C2=NC(=O)c3c(-c4ccc(C)cc4)[nH]c(O)c32)cc1.Cc1ccc(C2=NC(=O)c3c(-c4cccc(C)c4)[nH]c(O)c32)cc1.Cc1cccc(C2=NC(=O)c3c(-c4cccc(C)c4)[nH]c(O)c32)c1.II
InChIInChI=1S/3C20H16N2O2.I2/c1-11-3-7-13(8-4-11)17-15-16(20(24)21-17)18(22-19(15)23)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)17-15-16(20(24)21-17)18(22-19(15)23)14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)17-15-16(20(24)21-17)18(22-19(15)23)14-5-3-4-12(2)10-14;1-2/h2*3-10,21,24H,1-2H3;3-10,22-23H,1-2H3;
InChIKeyKCFPHRJUVNOVHN-UHFFFAOYSA-N
MW1202.89 g/mol
LogP13.76
Rot. Bonds6

About 3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine

3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine (PubChem CID 159771028) has the molecular formula C60H48I2N6O6 and a molecular weight of 1202.89 g/mol. Its IUPAC name is 3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine.

Molecular Properties

Compound Name3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine
PubChem CID159771028
Molecular FormulaC60H48I2N6O6
Molecular Weight1202.89 g/mol
Exact Mass1202.17
IUPAC Name3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine
SMILESCc1ccc(C2=NC(=O)c3c(-c4ccc(C)cc4)[nH]c(O)c32)cc1.Cc1ccc(C2=NC(=O)c3c(-c4cccc(C)c4)[nH]c(O)c32)cc1.Cc1cccc(C2=NC(=O)c3c(-c4cccc(C)c4)[nH]c(O)c32)c1.II
InChIInChI=1S/3C20H16N2O2.I2/c1-11-3-7-13(8-4-11)17-15-16(20(24)21-17)18(22-19(15)23)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)17-15-16(20(24)21-17)18(22-19(15)23)14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)17-15-16(20(24)21-17)18(22-19(15)23)14-5-3-4-12(2)10-14;1-2/h2*3-10,21,24H,1-2H3;3-10,22-23H,1-2H3;
InChIKeyKCFPHRJUVNOVHN-UHFFFAOYSA-N
XLogP13.76
TPSA196.35 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001202.89
LogP ≤ 513.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine with MolForge

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Related Compounds

1-(4-ethylphenyl)-3-hydroxy-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 155119154
2-chloro-5-[4-(4-chlorophenyl)-3-hydroxy-6-oxo-2H-pyrrolo[3,4-c]pyrrol-1-yl]benzenesulfonic acid
CID 136683471
1-(4-chlorophenyl)-3-hydroxy-4-methyl-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 136623416
1-(3-ethoxyphenyl)-4-(4-fluorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,3,4-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,5-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(2,4,6-trifluorophenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 158688205
1-(4-chlorophenyl)-3-hydroxy-4-(1λ3-iodacyclohexa-2,4,6-trien-3-yl)-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 163526861
4-benzhydryl-3-hydroxy-1-phenyl-2H-pyrrolo[3,4-c]pyrrol-6-one
CID 136734581
5-(3-methylphenyl)-2,3-diphenyl-1H-pyrrole
CID 102369143
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
1,4,5,8-tetrakis(3-methylphenyl)anthracene-9,10-dione
CID 25054148
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
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6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 83711439

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine?
The IUPAC name of 3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine (CID 159771028) is 3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine.
What is the SMILES notation for 3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine?
The canonical SMILES for 3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine is Cc1ccc(C2=NC(=O)c3c(-c4ccc(C)cc4)[nH]c(O)c32)cc1.Cc1ccc(C2=NC(=O)c3c(-c4cccc(C)c4)[nH]c(O)c32)cc1.Cc1cccc(C2=NC(=O)c3c(-c4cccc(C)c4)[nH]c(O)c32)c1.II.
What is the InChIKey of 3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine?
The InChIKey is KCFPHRJUVNOVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H16N2O2.I2/c1-11-3-7-13(8-4-11)17-15-16(20(24)21-17)18(22-19(15)23)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)17-15-16(20(24)21-17)18(22-19(15)23)14-8-4-6-12(2)10-14;1-11-6-8-13(9-7-11)17-15-16(20(24)21-17)18(22-19(15)23)14-5-3-4-12(2)10-14;1-2/h2*3-10,21,24H,1-2H3;3-10,22-23H,1-2H3;.
What are the key properties of 3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine?
3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine has a molecular weight of 1202.89 g/mol, XLogP of 13.76, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,4-bis(3-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1,4-bis(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;3-hydroxy-1-(3-methylphenyl)-4-(4-methylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one;molecular iodine is sourced from PubChem (CID 159771028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).