5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine

C31H21FN2 — CID 59390787

IUPAC5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine
SMILESFc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3ccccc3)c3ccccc23)nc1
InChIInChI=1S/C31H21FN2/c32-23-19-20-29(33-21-23)34(24-13-5-2-6-14-24)31-27-17-9-7-15-25(27)30(22-11-3-1-4-12-22)26-16-8-10-18-28(26)31/h1-21H
InChIKeyQSIOZIRTTCVWCO-UHFFFAOYSA-N
MW440.52 g/mol
LogP8.66
Rot. Bonds4

About 5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine

5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine (PubChem CID 59390787) has the molecular formula C31H21FN2 and a molecular weight of 440.52 g/mol. Its IUPAC name is 5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine
PubChem CID59390787
Molecular FormulaC31H21FN2
Molecular Weight440.52 g/mol
Exact Mass440.17
IUPAC Name5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine
SMILESFc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3ccccc3)c3ccccc23)nc1
InChIInChI=1S/C31H21FN2/c32-23-19-20-29(33-21-23)34(24-13-5-2-6-14-24)31-27-17-9-7-15-25(27)30(22-11-3-1-4-12-22)26-16-8-10-18-28(26)31/h1-21H
InChIKeyQSIOZIRTTCVWCO-UHFFFAOYSA-N
XLogP8.66
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine?
The IUPAC name of 5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine (CID 59390787) is 5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine is Fc1ccc(N(c2ccccc2)c2c3ccccc3c(-c3ccccc3)c3ccccc23)nc1.
What is the InChIKey of 5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine?
The InChIKey is QSIOZIRTTCVWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FN2/c32-23-19-20-29(33-21-23)34(24-13-5-2-6-14-24)31-27-17-9-7-15-25(27)30(22-11-3-1-4-12-22)26-16-8-10-18-28(26)31/h1-21H.
What are the key properties of 5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine?
5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine has a molecular weight of 440.52 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-phenyl-N-(10-phenylanthracen-9-yl)pyridin-2-amine is sourced from PubChem (CID 59390787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).