2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine

C28H17FN4 — CID 90361666

IUPAC2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine
SMILESFc1ccc2c(-c3ncccn3)c3cc(-c4ccccc4)ccc3c(-c3ncccn3)c2c1
InChIInChI=1S/C28H17FN4/c29-20-9-11-22-24(17-20)26(28-32-14-5-15-33-28)21-10-8-19(18-6-2-1-3-7-18)16-23(21)25(22)27-30-12-4-13-31-27/h1-17H
InChIKeyRAPZIZHAUXPCSU-UHFFFAOYSA-N
MW428.47 g/mol
LogP6.71
Rot. Bonds3

About 2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine

2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine (PubChem CID 90361666) has the molecular formula C28H17FN4 and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine.

Molecular Properties

Compound Name2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine
PubChem CID90361666
Molecular FormulaC28H17FN4
Molecular Weight428.47 g/mol
Exact Mass428.14
IUPAC Name2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine
SMILESFc1ccc2c(-c3ncccn3)c3cc(-c4ccccc4)ccc3c(-c3ncccn3)c2c1
InChIInChI=1S/C28H17FN4/c29-20-9-11-22-24(17-20)26(28-32-14-5-15-33-28)21-10-8-19(18-6-2-1-3-7-18)16-23(21)25(22)27-30-12-4-13-31-27/h1-17H
InChIKeyRAPZIZHAUXPCSU-UHFFFAOYSA-N
XLogP6.71
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine?
The IUPAC name of 2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine (CID 90361666) is 2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine.
What is the SMILES notation for 2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine?
The canonical SMILES for 2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine is Fc1ccc2c(-c3ncccn3)c3cc(-c4ccccc4)ccc3c(-c3ncccn3)c2c1.
What is the InChIKey of 2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine?
The InChIKey is RAPZIZHAUXPCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17FN4/c29-20-9-11-22-24(17-20)26(28-32-14-5-15-33-28)21-10-8-19(18-6-2-1-3-7-18)16-23(21)25(22)27-30-12-4-13-31-27/h1-17H.
What are the key properties of 2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine?
2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine has a molecular weight of 428.47 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-phenyl-10-pyrimidin-2-ylanthracen-9-yl)pyrimidine is sourced from PubChem (CID 90361666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).