2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole

C32H31NO2 — CID 90120132

IUPAC2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole
SMILESCOc1ccc(C2=CC(c3ccc(C)cc3)C(c3ccc(OC)cc3)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C32H31NO2/c1-22-5-9-24(10-6-22)30-21-31(25-11-17-28(34-3)18-12-25)33(27-15-7-23(2)8-16-27)32(30)26-13-19-29(35-4)20-14-26/h5-21,30,32H,1-4H3
InChIKeyOJDQYVFWZIFKSB-UHFFFAOYSA-N
MW461.61 g/mol
LogP7.71
Rot. Bonds6

About 2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole

2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole (PubChem CID 90120132) has the molecular formula C32H31NO2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole
PubChem CID90120132
Molecular FormulaC32H31NO2
Molecular Weight461.61 g/mol
Exact Mass461.24
IUPAC Name2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole
SMILESCOc1ccc(C2=CC(c3ccc(C)cc3)C(c3ccc(OC)cc3)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C32H31NO2/c1-22-5-9-24(10-6-22)30-21-31(25-11-17-28(34-3)18-12-25)33(27-15-7-23(2)8-16-27)32(30)26-13-19-29(35-4)20-14-26/h5-21,30,32H,1-4H3
InChIKeyOJDQYVFWZIFKSB-UHFFFAOYSA-N
XLogP7.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1,3-bis(4-methylphenyl)-2-[4-(2-trimethylsilylethynyl)phenyl]-2,3-dihydropyrrol-5-yl]phenyl]ethynyl-trimethylsilane
CID 141402840
1-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)azetidin-2-one
CID 75219177
(3S,4R)-3-methoxy-1-(4-methoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102052302
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one
CID 154585966
1-(113C)methoxy-4-methylbenzene
CID 166176950
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
4-(4-methoxyphenyl)-3-(4-methylphenyl)-5-oxothiomorpholine-2-carboxylic acid
CID 171320510
1-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320483
7,14-bis(4-methoxyphenyl)-4,11-bis(4-methylphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 5137894
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-benzyl-3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenylimidazolidin-2-one
CID 3843715

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole?
The IUPAC name of 2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole (CID 90120132) is 2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole.
What is the SMILES notation for 2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole?
The canonical SMILES for 2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole is COc1ccc(C2=CC(c3ccc(C)cc3)C(c3ccc(OC)cc3)N2c2ccc(C)cc2)cc1.
What is the InChIKey of 2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole?
The InChIKey is OJDQYVFWZIFKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO2/c1-22-5-9-24(10-6-22)30-21-31(25-11-17-28(34-3)18-12-25)33(27-15-7-23(2)8-16-27)32(30)26-13-19-29(35-4)20-14-26/h5-21,30,32H,1-4H3.
What are the key properties of 2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole?
2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole has a molecular weight of 461.61 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methoxyphenyl)-1,3-bis(4-methylphenyl)-2,3-dihydropyrrole is sourced from PubChem (CID 90120132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).