3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine

C41H30N2 — CID 88554410

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

3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine (PubChem CID 88554410) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine
• PubChem CID: 88554410
• Molecular Formula: C41H30N2
• Molecular Weight: 550.71 g/mol
• Exact Mass: 550.24
• IUPAC Name: 3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine
• SMILES: CC1=Cc2ccc(-c3c4ccccc4c(-c4cccc(-c5cncc(-c6ccccn6)c5)c4)c4ccccc34)cc2CC1
• InChI: InChI=1S/C41H30N2/c1-27-16-17-30-23-32(19-18-29(30)21-27)41-37-13-4-2-11-35(37)40(36-12-3-5-14-38(36)41)31-10-8-9-28(22-31)33-24-34(26-42-25-33)39-15-6-7-20-43-39/h2-15,18-26H,16-17H2,1H3
• InChIKey: CJLLKCFIMSQHGE-UHFFFAOYSA-N
• XLogP: 10.80
• 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	10.80
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 3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine?

The IUPAC name of 3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine (CID 88554410) is 3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine.

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

The canonical SMILES for 3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine is CC1=Cc2ccc(-c3c4ccccc4c(-c4cccc(-c5cncc(-c6ccccn6)c5)c4)c4ccccc34)cc2CC1.

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

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

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

3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine has a molecular weight of 550.71 g/mol, XLogP of 10.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine is sourced from PubChem (CID 88554410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).