4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine

C50H32N2 — CID 130231665

About 4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine

4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine (PubChem CID 130231665) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine.

Molecular Properties

• Compound Name: 4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine
• PubChem CID: 130231665
• Molecular Formula: C50H32N2
• Molecular Weight: 660.82 g/mol
• Exact Mass: 660.26
• IUPAC Name: 4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine
• SMILES: c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)n2)cc1
• InChI: InChI=1S/C50H32N2/c1-2-16-35(17-3-1)46-32-47(41-27-13-19-34-15-6-7-22-40(34)41)52-50(51-46)39-21-12-20-37(31-39)48-42-23-8-10-25-44(42)49(45-26-11-9-24-43(45)48)38-29-28-33-14-4-5-18-36(33)30-38/h1-32H
• InChIKey: DFUYPWRPWPNMTD-UHFFFAOYSA-N
• XLogP: 13.42
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.82
LogP ≤ 5	13.42
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 4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine?

The IUPAC name of 4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine (CID 130231665) is 4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine.

What is the SMILES notation for 4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine?

The canonical SMILES for 4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine is c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)n2)cc1.

What is the InChIKey of 4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine?

The InChIKey is DFUYPWRPWPNMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-2-16-35(17-3-1)46-32-47(41-27-13-19-34-15-6-7-22-40(34)41)52-50(51-46)39-21-12-20-37(31-39)48-42-23-8-10-25-44(42)49(45-26-11-9-24-43(45)48)38-29-28-33-14-4-5-18-36(33)30-38/h1-32H.

What are the key properties of 4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine?

4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine has a molecular weight of 660.82 g/mol, XLogP of 13.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine is sourced from PubChem (CID 130231665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).