2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole

C19H14N4 — CID 6857471

IUPAC2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole
SMILESC1=CC(=CC2=NC(=Cc3ccc(C=C4C=CC=N4)[nH]3)C=C2)N=C1
InChIInChI=1S/C19H14N4/c1-3-14(20-9-1)11-16-5-7-18(22-16)13-19-8-6-17(23-19)12-15-4-2-10-21-15/h1-13,22H
InChIKeyPPRBOEHFGAHFGC-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.87
Rot. Bonds3

About 2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole

2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole (PubChem CID 6857471) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole.

Molecular Properties

Compound Name2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole
PubChem CID6857471
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole
SMILESC1=CC(=CC2=NC(=Cc3ccc(C=C4C=CC=N4)[nH]3)C=C2)N=C1
InChIInChI=1S/C19H14N4/c1-3-14(20-9-1)11-16-5-7-18(22-16)13-19-8-6-17(23-19)12-15-4-2-10-21-15/h1-13,22H
InChIKeyPPRBOEHFGAHFGC-UHFFFAOYSA-N
XLogP3.87
TPSA52.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole?
The IUPAC name of 2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole (CID 6857471) is 2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole.
What is the SMILES notation for 2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole?
The canonical SMILES for 2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole is C1=CC(=CC2=NC(=Cc3ccc(C=C4C=CC=N4)[nH]3)C=C2)N=C1.
What is the InChIKey of 2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole?
The InChIKey is PPRBOEHFGAHFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4/c1-3-14(20-9-1)11-16-5-7-18(22-16)13-19-8-6-17(23-19)12-15-4-2-10-21-15/h1-13,22H.
What are the key properties of 2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole?
2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole has a molecular weight of 298.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrol-2-ylidenemethyl)-5-[[5-(pyrrol-2-ylidenemethyl)-1H-pyrrol-2-yl]methylidene]pyrrole is sourced from PubChem (CID 6857471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).