2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole

C16H14N4 — CID 54094843

IUPAC2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole
SMILESc1c[nH]c(-c2c[nH]c(-c3ccc[nH]3)c2-c2ccc[nH]2)c1
InChIInChI=1S/C16H14N4/c1-4-12(17-7-1)11-10-20-16(14-6-3-9-19-14)15(11)13-5-2-8-18-13/h1-10,17-20H
InChIKeyMWJWXJJKOOCLQO-UHFFFAOYSA-N
MW262.32 g/mol
LogP4.00
Rot. Bonds3

About 2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole

2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole (PubChem CID 54094843) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole
PubChem CID54094843
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole
SMILESc1c[nH]c(-c2c[nH]c(-c3ccc[nH]3)c2-c2ccc[nH]2)c1
InChIInChI=1S/C16H14N4/c1-4-12(17-7-1)11-10-20-16(14-6-3-9-19-14)15(11)13-5-2-8-18-13/h1-10,17-20H
InChIKeyMWJWXJJKOOCLQO-UHFFFAOYSA-N
XLogP4.00
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

3,3'-Diindolylmethane
CID 3071
5,10,15,20-Tetra(4-pyridyl)porphyrin
CID 135411729
3-Indolecarboxylaldehyde, azine
CID 135400613
3-((1H-Indol-2-yl)methyl)-1H-indole
CID 10900930
1,1,1-Tris(3-indolyl)methane
CID 254323
1,4-Bis(3-indolyl)-2,3-diaza-1,3-butadiene
CID 14692
3,3'-(piperazine-1,4-diyldimethanediyl)bis(1H-indole)
CID 412865
21,22,23,24-Tetraazapentacyclo(16.2.1.1(2,5).1(8,11).1(12,15))tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene, 4,9,14,19-tetrapropyl-
CID 130573
N-[[3-[3,5-bis[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]-5-[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 73211825
(2-(1H-indol-3-yl)ethyl)((1-methyl-1H-pyrrol-2-yl)methyl)amine
CID 4215041
2,8,12,18-Tetraethyl-3,7,13,17-tetramethyl-5,15-bis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin diiodide
CID 14844702
3-(5-phenyl-3-pyridin-4-yl-1H-pyrrol-2-yl)pyridine
CID 44324169

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole?
The IUPAC name of 2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole (CID 54094843) is 2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole.
What is the SMILES notation for 2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole?
The canonical SMILES for 2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole is c1c[nH]c(-c2c[nH]c(-c3ccc[nH]3)c2-c2ccc[nH]2)c1.
What is the InChIKey of 2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole?
The InChIKey is MWJWXJJKOOCLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-4-12(17-7-1)11-10-20-16(14-6-3-9-19-14)15(11)13-5-2-8-18-13/h1-10,17-20H.
What are the key properties of 2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole?
2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole has a molecular weight of 262.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris(1H-pyrrol-2-yl)-1H-pyrrole is sourced from PubChem (CID 54094843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).