2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole

C30H28N2O4 — CID 118529838

IUPAC2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole
SMILESCOc1ccc(-c2cc(-c3cccc(-c4c[nH]c(-c5ccc(OC)cc5OC)c4)c3)c[nH]2)c(OC)c1
InChIInChI=1S/C30H28N2O4/c1-33-23-8-10-25(29(15-23)35-3)27-13-21(17-31-27)19-6-5-7-20(12-19)22-14-28(32-18-22)26-11-9-24(34-2)16-30(26)36-4/h5-18,31-32H,1-4H3
InChIKeyNJYGZFNJVQECNC-UHFFFAOYSA-N
MW480.56 g/mol
LogP7.05
Rot. Bonds8

About 2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole

2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole (PubChem CID 118529838) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole
PubChem CID118529838
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Name2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole
SMILESCOc1ccc(-c2cc(-c3cccc(-c4c[nH]c(-c5ccc(OC)cc5OC)c4)c3)c[nH]2)c(OC)c1
InChIInChI=1S/C30H28N2O4/c1-33-23-8-10-25(29(15-23)35-3)27-13-21(17-31-27)19-6-5-7-20(12-19)22-14-28(32-18-22)26-11-9-24(34-2)16-30(26)36-4/h5-18,31-32H,1-4H3
InChIKeyNJYGZFNJVQECNC-UHFFFAOYSA-N
XLogP7.05
TPSA68.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole (CID 118529838) is 2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole is COc1ccc(-c2cc(-c3cccc(-c4c[nH]c(-c5ccc(OC)cc5OC)c4)c3)c[nH]2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole?
The InChIKey is NJYGZFNJVQECNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-33-23-8-10-25(29(15-23)35-3)27-13-21(17-31-27)19-6-5-7-20(12-19)22-14-28(32-18-22)26-11-9-24(34-2)16-30(26)36-4/h5-18,31-32H,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole?
2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole has a molecular weight of 480.56 g/mol, XLogP of 7.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-4-[3-[5-(2,4-dimethoxyphenyl)-1H-pyrrol-3-yl]phenyl]-1H-pyrrole is sourced from PubChem (CID 118529838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).