1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole

C26H28N4 — CID 146018035

IUPAC1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole
SMILESCn1cccc1C=Cc1ccc(C=Cc2ccc(C=Cc3cccn3C)n2C)n1C
InChIInChI=1S/C26H28N4/c1-27-19-5-7-21(27)9-11-23-13-15-25(29(23)3)17-18-26-16-14-24(30(26)4)12-10-22-8-6-20-28(22)2/h5-20H,1-4H3
InChIKeySCLZIDYQEIGCOS-UHFFFAOYSA-N
MW396.54 g/mol
LogP5.55
Rot. Bonds6

About 1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole

1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole (PubChem CID 146018035) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole.

Molecular Properties

Compound Name1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole
PubChem CID146018035
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole
SMILESCn1cccc1C=Cc1ccc(C=Cc2ccc(C=Cc3cccn3C)n2C)n1C
InChIInChI=1S/C26H28N4/c1-27-19-5-7-21(27)9-11-23-13-15-25(29(23)3)17-18-26-16-14-24(30(26)4)12-10-22-8-6-20-28(22)2/h5-20H,1-4H3
InChIKeySCLZIDYQEIGCOS-UHFFFAOYSA-N
XLogP5.55
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole?
The IUPAC name of 1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole (CID 146018035) is 1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole.
What is the SMILES notation for 1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole?
The canonical SMILES for 1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole is Cn1cccc1C=Cc1ccc(C=Cc2ccc(C=Cc3cccn3C)n2C)n1C.
What is the InChIKey of 1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole?
The InChIKey is SCLZIDYQEIGCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-27-19-5-7-21(27)9-11-23-13-15-25(29(23)3)17-18-26-16-14-24(30(26)4)12-10-22-8-6-20-28(22)2/h5-20H,1-4H3.
What are the key properties of 1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole?
1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole has a molecular weight of 396.54 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-[1-methyl-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrol-2-yl]ethenyl]-5-[2-(1-methylpyrrol-2-yl)ethenyl]pyrrole is sourced from PubChem (CID 146018035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).