3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine

C42H31N — CID 88554453

About 3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine

3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine (PubChem CID 88554453) has the molecular formula C42H31N and a molecular weight of 549.72 g/mol. Its IUPAC name is 3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine.

Molecular Properties

• Compound Name: 3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine
• PubChem CID: 88554453
• Molecular Formula: C42H31N
• Molecular Weight: 549.72 g/mol
• Exact Mass: 549.25
• IUPAC Name: 3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine
• SMILES: Cc1cncc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6c(c5)CCC=C6)c5ccccc45)c3)cc2)c1
• InChI: InChI=1S/C42H31N/c1-28-23-36(27-43-26-28)31-19-17-30(18-20-31)33-11-8-12-34(24-33)41-37-13-4-6-15-39(37)42(40-16-7-5-14-38(40)41)35-22-21-29-9-2-3-10-32(29)25-35/h2,4-9,11-27H,3,10H2,1H3
• InChIKey: FGSGEYGHMCPMFU-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.72
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine?

The IUPAC name of 3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine (CID 88554453) is 3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine.

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

The canonical SMILES for 3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine is Cc1cncc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6c(c5)CCC=C6)c5ccccc45)c3)cc2)c1.

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

The InChIKey is FGSGEYGHMCPMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N/c1-28-23-36(27-43-26-28)31-19-17-30(18-20-31)33-11-8-12-34(24-33)41-37-13-4-6-15-39(37)42(40-16-7-5-14-38(40)41)35-22-21-29-9-2-3-10-32(29)25-35/h2,4-9,11-27H,3,10H2,1H3.

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

3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine has a molecular weight of 549.72 g/mol, XLogP of 11.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine is sourced from PubChem (CID 88554453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).