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

C19H16N4 — CID 23657824

IUPAC2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole
SMILESC1=C/C(=C\c2ccc(Cc3ccc(/C=C4\C=CC=N4)[nH]3)[nH]2)N=C1
InChIInChI=1S/C19H16N4/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/h1-12,22-23H,13H2/b14-11+,15-12+
InChIKeyWRHFHRSKAUEWHV-LCPPQYOVSA-N
MW300.37 g/mol
LogP3.90
Rot. Bonds4

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

2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole (PubChem CID 23657824) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole
PubChem CID23657824
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole
SMILESC1=C/C(=C\c2ccc(Cc3ccc(/C=C4\C=CC=N4)[nH]3)[nH]2)N=C1
InChIInChI=1S/C19H16N4/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/h1-12,22-23H,13H2/b14-11+,15-12+
InChIKeyWRHFHRSKAUEWHV-LCPPQYOVSA-N
XLogP3.90
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Porphyrin
CID 66868
Dipyrromethane
CID 140814
bis-(1H-pyrrol-2-yl)-methanethione
CID 3603769
Phlorin
CID 20055371
(5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 135476167
Chlorin
CID 65106
Porphyrinogen
CID 9548659
21H-biline
CID 6857471
Copper porphyrin
CID 57423943
Nonylprodigiosin, 6
CID 57339720
Tripyrrin
CID 9548775
Bilane
CID 9548777

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole?
The IUPAC name of 2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole (CID 23657824) is 2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole?
The canonical SMILES for 2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole is C1=C/C(=C\c2ccc(Cc3ccc(/C=C4\C=CC=N4)[nH]3)[nH]2)N=C1.
What is the InChIKey of 2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole?
The InChIKey is WRHFHRSKAUEWHV-LCPPQYOVSA-N. The full InChI is InChI=1S/C19H16N4/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/h1-12,22-23H,13H2/b14-11+,15-12+.
What are the key properties of 2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole?
2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole has a molecular weight of 300.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pyrrol-2-ylidenemethyl]-5-[[5-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrole is sourced from PubChem (CID 23657824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).