5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine

C41H30N2 — CID 88554687

About 5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine

5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine (PubChem CID 88554687) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine.

Molecular Properties

• Compound Name: 5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
• PubChem CID: 88554687
• Molecular Formula: C41H30N2
• Molecular Weight: 550.71 g/mol
• Exact Mass: 550.24
• IUPAC Name: 5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
• SMILES: Cc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)CCC=C6)c5ccccc45)cc3)cn2)cn1
• InChI: InChI=1S/C41H30N2/c1-27-14-15-34(26-42-27)39-23-22-33(25-43-39)29-16-19-30(20-17-29)40-35-10-4-6-12-37(35)41(38-13-7-5-11-36(38)40)32-21-18-28-8-2-3-9-31(28)24-32/h2,4-8,10-26H,3,9H2,1H3
• InChIKey: PLMGKCOLEYIBCV-UHFFFAOYSA-N
• XLogP: 10.72
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.71
LogP ≤ 5	10.72
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-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine?

The IUPAC name of 5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine (CID 88554687) is 5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine.

What is the SMILES notation for 5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine?

The canonical SMILES for 5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine is Cc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)CCC=C6)c5ccccc45)cc3)cn2)cn1.

What is the InChIKey of 5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine?

The InChIKey is PLMGKCOLEYIBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-27-14-15-34(26-42-27)39-23-22-33(25-43-39)29-16-19-30(20-17-29)40-35-10-4-6-12-37(35)41(38-13-7-5-11-36(38)40)32-21-18-28-8-2-3-9-31(28)24-32/h2,4-8,10-26H,3,9H2,1H3.

What are the key properties of 5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine?

5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine has a molecular weight of 550.71 g/mol, XLogP of 10.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine is sourced from PubChem (CID 88554687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).