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

C20H17N5 — CID 122370156

IUPAC2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole
SMILESc1c[nH]c(-c2[nH]c(-c3ccc[nH]3)c(-c3cc[nH]c3)c2-c2cc[nH]c2)c1
InChIInChI=1S/C20H17N5/c1-3-15(23-7-1)19-17(13-5-9-21-11-13)18(14-6-10-22-12-14)20(25-19)16-4-2-8-24-16/h1-12,21-25H
InChIKeyHATKLZHOTBUULY-UHFFFAOYSA-N
MW327.39 g/mol
LogP5.00
Rot. Bonds4

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

2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole (PubChem CID 122370156) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole.

Molecular Properties

Compound Name2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole
PubChem CID122370156
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole
SMILESc1c[nH]c(-c2[nH]c(-c3ccc[nH]3)c(-c3cc[nH]c3)c2-c2cc[nH]c2)c1
InChIInChI=1S/C20H17N5/c1-3-15(23-7-1)19-17(13-5-9-21-11-13)18(14-6-10-22-12-14)20(25-19)16-4-2-8-24-16/h1-12,21-25H
InChIKeyHATKLZHOTBUULY-UHFFFAOYSA-N
XLogP5.00
TPSA78.95 Ų
H-Bond Donors5
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 55.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 100

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Related Compounds

3-(1H-pyrrol-2-yl)-1H-pyridin-4-one
CID 91573710
2H-cyclopenta[c]pyridine
CID 15559852
methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole
CID 159141644
3-chloro-2-(1H-pyrrol-2-yl)-1H-indole
CID 141328580
1-methyl-3-(1H-pyrrol-2-yl)pyrrole
CID 167296884
2-(1H-pyrrol-2-yl)-6-[5-[3-[5-[6-(1H-pyrrol-2-yl)-2-pyridinyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-2-yl]pyridine
CID 141356480
2-(3,5-dibromophenyl)-1H-pyrrole
CID 14431153
3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417
3-(4-fluorophenyl)-1H-pyrrole
CID 12665440
2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole
CID 116884407
4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one
CID 116966086
1-[4-phenyl-2-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]ethanone
CID 3598277

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole?
The IUPAC name of 2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole (CID 122370156) is 2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole.
What is the SMILES notation for 2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole?
The canonical SMILES for 2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole is c1c[nH]c(-c2[nH]c(-c3ccc[nH]3)c(-c3cc[nH]c3)c2-c2cc[nH]c2)c1.
What is the InChIKey of 2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole?
The InChIKey is HATKLZHOTBUULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-3-15(23-7-1)19-17(13-5-9-21-11-13)18(14-6-10-22-12-14)20(25-19)16-4-2-8-24-16/h1-12,21-25H.
What are the key properties of 2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole?
2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole has a molecular weight of 327.39 g/mol, XLogP of 5.00, 4 rotatable bonds, 5 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1H-pyrrol-2-yl)-3,4-bis(1H-pyrrol-3-yl)-1H-pyrrole is sourced from PubChem (CID 122370156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).