5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine

C43H29FN2 — CID 59390895

About 5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine

5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine (PubChem CID 59390895) has the molecular formula C43H29FN2 and a molecular weight of 592.72 g/mol. Its IUPAC name is 5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
• PubChem CID: 59390895
• Molecular Formula: C43H29FN2
• Molecular Weight: 592.72 g/mol
• Exact Mass: 592.23
• IUPAC Name: 5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
• SMILES: Fc1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)cc2)nc1
• InChI: InChI=1S/C43H29FN2/c44-32-25-28-41(45-29-32)46(33-15-5-2-6-16-33)34-26-23-31(24-27-34)42-37-19-9-11-21-39(37)43(40-22-12-10-20-38(40)42)36-18-8-7-17-35(36)30-13-3-1-4-14-30/h1-29H
• InChIKey: IOLVVASEAFPHOV-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.72
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine?

The IUPAC name of 5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine (CID 59390895) is 5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine.

What is the SMILES notation for 5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine?

The canonical SMILES for 5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine is Fc1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)cc2)nc1.

What is the InChIKey of 5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine?

The InChIKey is IOLVVASEAFPHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29FN2/c44-32-25-28-41(45-29-32)46(33-15-5-2-6-16-33)34-26-23-31(24-27-34)42-37-19-9-11-21-39(37)43(40-22-12-10-20-38(40)42)36-18-8-7-17-35(36)30-13-3-1-4-14-30/h1-29H.

What are the key properties of 5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine?

5-fluoro-N-phenyl-N-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine has a molecular weight of 592.72 g/mol, XLogP of 12.00, 6 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-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 59390895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).