1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole

C22H26N4 — CID 91989747

IUPAC1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole
SMILESCn1cccc1C(c1cccn1C)C(c1cccn1C)c1cccn1C
InChIInChI=1S/C22H26N4/c1-23-13-5-9-17(23)21(18-10-6-14-24(18)2)22(19-11-7-15-25(19)3)20-12-8-16-26(20)4/h5-16,21-22H,1-4H3
InChIKeyDTAGICUZZLDBGD-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.00
Rot. Bonds5

About 1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole

1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole (PubChem CID 91989747) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole.

Molecular Properties

Compound Name1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole
PubChem CID91989747
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole
SMILESCn1cccc1C(c1cccn1C)C(c1cccn1C)c1cccn1C
InChIInChI=1S/C22H26N4/c1-23-13-5-9-17(23)21(18-10-6-14-24(18)2)22(19-11-7-15-25(19)3)20-12-8-16-26(20)4/h5-16,21-22H,1-4H3
InChIKeyDTAGICUZZLDBGD-UHFFFAOYSA-N
XLogP4.00
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,15-Bis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin
CID 12107140
1-Methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole
CID 155565853
15-(1-Methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin
CID 16084924
10,15-Bis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin
CID 16084927
2,2'-(2,2,2-Trifluoroethane-1,1-diyl)bis(1-methyl-1H-pyrrole)
CID 21583095
Bilane
CID 9548777
3-[(1,2-Dimethyl-3-indolizinyl)methyl]-1,2-dimethylindolizine
CID 1214543
1,1'-Dimethyl-1h,1'h-2,3'-biindole
CID 254712
Tripyrrylmethane
CID 15504353
8-Methyl-2-phenyldipyrrolo[1,2-a:2',1'-c]pyrazine
CID 782016
1-Methyl-2-[(1-methylpyrrol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]pyrrole
CID 139048967
1-Methyl-2-(1-methylindol-3-yl)-3-[1-methyl-2-(1-methylindol-3-yl)indol-3-yl]indole
CID 101081493

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole?
The IUPAC name of 1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole (CID 91989747) is 1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole.
What is the SMILES notation for 1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole?
The canonical SMILES for 1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole is Cn1cccc1C(c1cccn1C)C(c1cccn1C)c1cccn1C.
What is the InChIKey of 1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole?
The InChIKey is DTAGICUZZLDBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-23-13-5-9-17(23)21(18-10-6-14-24(18)2)22(19-11-7-15-25(19)3)20-12-8-16-26(20)4/h5-16,21-22H,1-4H3.
What are the key properties of 1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole?
1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole has a molecular weight of 346.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1,2,2-tris(1-methylpyrrol-2-yl)ethyl]pyrrole is sourced from PubChem (CID 91989747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).