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

C26H26N4 — CID 155565853

IUPAC1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole
SMILESCn1cccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4)n3C)n2C)n1C
InChIInChI=1S/C26H26N4/c1-27-18-8-11-21(27)22-14-15-25(29(22)3)26-17-16-24(30(26)4)23-13-12-20(28(23)2)19-9-6-5-7-10-19/h5-18H,1-4H3
InChIKeyQRXWBYLQXGFCRY-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.71
Rot. Bonds4

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

1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole (PubChem CID 155565853) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole.

Molecular Properties

Compound Name1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole
PubChem CID155565853
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC Name1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole
SMILESCn1cccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4)n3C)n2C)n1C
InChIInChI=1S/C26H26N4/c1-27-18-8-11-21(27)22-14-15-25(29(22)3)26-17-16-24(30(26)4)23-13-12-20(28(23)2)19-9-6-5-7-10-19/h5-18H,1-4H3
InChIKeyQRXWBYLQXGFCRY-UHFFFAOYSA-N
XLogP5.71
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole?
The IUPAC name of 1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole (CID 155565853) is 1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole.
What is the SMILES notation for 1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole?
The canonical SMILES for 1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole is Cn1cccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4)n3C)n2C)n1C.
What is the InChIKey of 1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole?
The InChIKey is QRXWBYLQXGFCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4/c1-27-18-8-11-21(27)22-14-15-25(29(22)3)26-17-16-24(30(26)4)23-13-12-20(28(23)2)19-9-6-5-7-10-19/h5-18H,1-4H3.
What are the key properties of 1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole?
1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole has a molecular weight of 394.52 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole is sourced from PubChem (CID 155565853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).