3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole

C22H20N2O2 — CID 102186153

IUPAC3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole
SMILESCOc1ccc(-c2c[nH]c(-c3[nH]ccc3-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C22H20N2O2/c1-25-18-7-3-15(4-8-18)17-13-21(24-14-17)22-20(11-12-23-22)16-5-9-19(26-2)10-6-16/h3-14,23-24H,1-2H3
InChIKeyMKGCVUUACSXFQQ-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.36
Rot. Bonds5

About 3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole

3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole (PubChem CID 102186153) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole
PubChem CID102186153
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole
SMILESCOc1ccc(-c2c[nH]c(-c3[nH]ccc3-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C22H20N2O2/c1-25-18-7-3-15(4-8-18)17-13-21(24-14-17)22-20(11-12-23-22)16-5-9-19(26-2)10-6-16/h3-14,23-24H,1-2H3
InChIKeyMKGCVUUACSXFQQ-UHFFFAOYSA-N
XLogP5.36
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole
CID 67534335
4-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-1H-pyrrole
CID 66617181
2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole
CID 118529838
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
2-(4-methoxyphenyl)-3-propan-2-yl-1H-pyrrole
CID 10954950
4,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole
CID 15268585
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-(4-methoxyphenyl)-3-[[4-[[2-(4-methoxyphenyl)-1H-pyrrol-3-yl]methyl]phenyl]methyl]-1H-pyrrole
CID 122363305
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole?
The IUPAC name of 3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole (CID 102186153) is 3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole?
The canonical SMILES for 3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole is COc1ccc(-c2c[nH]c(-c3[nH]ccc3-c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole?
The InChIKey is MKGCVUUACSXFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-18-7-3-15(4-8-18)17-13-21(24-14-17)22-20(11-12-23-22)16-5-9-19(26-2)10-6-16/h3-14,23-24H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole?
3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole has a molecular weight of 344.41 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1H-pyrrole is sourced from PubChem (CID 102186153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).