(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole

C23H13F5N4 — CID 137296835

IUPAC(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole
SMILESFc1c(F)c(F)c(/C(=C2\C=CC(c3ccc[nH]3)=N2)c2ccc(-c3ccc[nH]3)[nH]2)c(F)c1F
InChIInChI=1S/C23H13F5N4/c24-19-18(20(25)22(27)23(28)21(19)26)17(15-7-5-13(31-15)11-3-1-9-29-11)16-8-6-14(32-16)12-4-2-10-30-12/h1-10,29-31H/b17-16+
InChIKeyINHYLCNBKXPUJX-WUKNDPDISA-N
MW440.38 g/mol
LogP5.85
Rot. Bonds4

About (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole

(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole (PubChem CID 137296835) has the molecular formula C23H13F5N4 and a molecular weight of 440.38 g/mol. Its IUPAC name is (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole.

Molecular Properties

Compound Name(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole
PubChem CID137296835
Molecular FormulaC23H13F5N4
Molecular Weight440.38 g/mol
Exact Mass440.11
IUPAC Name(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole
SMILESFc1c(F)c(F)c(/C(=C2\C=CC(c3ccc[nH]3)=N2)c2ccc(-c3ccc[nH]3)[nH]2)c(F)c1F
InChIInChI=1S/C23H13F5N4/c24-19-18(20(25)22(27)23(28)21(19)26)17(15-7-5-13(31-15)11-3-1-9-29-11)16-8-6-14(32-16)12-4-2-10-30-12/h1-10,29-31H/b17-16+
InChIKeyINHYLCNBKXPUJX-WUKNDPDISA-N
XLogP5.85
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.38
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole with MolForge

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Related Compounds

1H-Pyrrole-2-methanamine, N-(phenylmethyl)-
CID 413448
2-(4-Fluorophenyl)-3-(pyridin-4-yl)-1H-pyrrole
CID 21922663
(2-phenylethyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110292
methyl(4-phenylbutyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110295
2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-ethylamine
CID 44399613
(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2-yl)-N,N-dimethylmethanamine
CID 44411363
1-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2-yl)-N,N,2-trimethylpropan-1-amine
CID 44411479
4-(2-(4-fluorophenyl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrrol-3-yl)pyridine
CID 44411480
7-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-1,2,3,5,8,8a-hexahydroindolizine
CID 9798931
4V9C6Fbz7M
CID 9811100
4-[2-(4-fluorophenyl)-4-(6-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrol-3-yl]pyridine
CID 9862465
7-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-1,2,3,5,6,8a-hexahydroindolizine
CID 9863655

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The IUPAC name of (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole (CID 137296835) is (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole.
What is the SMILES notation for (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The canonical SMILES for (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole is Fc1c(F)c(F)c(/C(=C2\C=CC(c3ccc[nH]3)=N2)c2ccc(-c3ccc[nH]3)[nH]2)c(F)c1F.
What is the InChIKey of (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The InChIKey is INHYLCNBKXPUJX-WUKNDPDISA-N. The full InChI is InChI=1S/C23H13F5N4/c24-19-18(20(25)22(27)23(28)21(19)26)17(15-7-5-13(31-15)11-3-1-9-29-11)16-8-6-14(32-16)12-4-2-10-30-12/h1-10,29-31H/b17-16+.
What are the key properties of (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole has a molecular weight of 440.38 g/mol, XLogP of 5.85, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,3,4,5,6-pentafluorophenyl)-[5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole is sourced from PubChem (CID 137296835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).