2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole

C24H24N2O4 — CID 100982702

IUPAC2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole
SMILESCOc1c(-c2ccccc2)[nH]c(-c2[nH]c(-c3ccccc3)c(OC)c2OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-27-21-17(15-11-7-5-8-12-15)25-19(23(21)29-3)20-24(30-4)22(28-2)18(26-20)16-13-9-6-10-14-16/h5-14,25-26H,1-4H3
InChIKeyUESFNSAVPKHUPZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.38
Rot. Bonds7

About 2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole

2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole (PubChem CID 100982702) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole.

Molecular Properties

Compound Name2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole
PubChem CID100982702
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole
SMILESCOc1c(-c2ccccc2)[nH]c(-c2[nH]c(-c3ccccc3)c(OC)c2OC)c1OC
InChIInChI=1S/C24H24N2O4/c1-27-21-17(15-11-7-5-8-12-15)25-19(23(21)29-3)20-24(30-4)22(28-2)18(26-20)16-13-9-6-10-14-16/h5-14,25-26H,1-4H3
InChIKeyUESFNSAVPKHUPZ-UHFFFAOYSA-N
XLogP5.38
TPSA68.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole?
The IUPAC name of 2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole (CID 100982702) is 2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole.
What is the SMILES notation for 2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole?
The canonical SMILES for 2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole is COc1c(-c2ccccc2)[nH]c(-c2[nH]c(-c3ccccc3)c(OC)c2OC)c1OC.
What is the InChIKey of 2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole?
The InChIKey is UESFNSAVPKHUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-27-21-17(15-11-7-5-8-12-15)25-19(23(21)29-3)20-24(30-4)22(28-2)18(26-20)16-13-9-6-10-14-16/h5-14,25-26H,1-4H3.
What are the key properties of 2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole?
2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole has a molecular weight of 404.47 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-5-phenyl-1H-pyrrol-2-yl)-3,4-dimethoxy-5-phenyl-1H-pyrrole is sourced from PubChem (CID 100982702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).