[5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol

C20H16N4O — CID 123237335

IUPAC[5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol
SMILESOCc1ccc(C=C2C=CC(C=C3C=CC(C=C4C=CC=N4)=N3)=N2)[nH]1
InChIInChI=1S/C20H16N4O/c25-13-20-8-7-19(24-20)12-18-6-5-17(23-18)11-16-4-3-15(22-16)10-14-2-1-9-21-14/h1-12,24-25H,13H2
InChIKeyTWACHWRLJVQQRR-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.28
Rot. Bonds4

About [5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol

[5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol (PubChem CID 123237335) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is [5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol
PubChem CID123237335
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name[5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol
SMILESOCc1ccc(C=C2C=CC(C=C3C=CC(C=C4C=CC=N4)=N3)=N2)[nH]1
InChIInChI=1S/C20H16N4O/c25-13-20-8-7-19(24-20)12-18-6-5-17(23-18)11-16-4-3-15(22-16)10-14-2-1-9-21-14/h1-12,24-25H,13H2
InChIKeyTWACHWRLJVQQRR-UHFFFAOYSA-N
XLogP3.28
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol?
The IUPAC name of [5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol (CID 123237335) is [5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol.
What is the SMILES notation for [5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol?
The canonical SMILES for [5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol is OCc1ccc(C=C2C=CC(C=C3C=CC(C=C4C=CC=N4)=N3)=N2)[nH]1.
What is the InChIKey of [5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol?
The InChIKey is TWACHWRLJVQQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-13-20-8-7-19(24-20)12-18-6-5-17(23-18)11-16-4-3-15(22-16)10-14-2-1-9-21-14/h1-12,24-25H,13H2.
What are the key properties of [5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol?
[5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol has a molecular weight of 328.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-[[5-(pyrrol-2-ylidenemethyl)pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]methanol is sourced from PubChem (CID 123237335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).