3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine

C43H33N — CID 88554441

About 3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine

3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine (PubChem CID 88554441) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is 3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine.

Molecular Properties

• Compound Name: 3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine
• PubChem CID: 88554441
• Molecular Formula: C43H33N
• Molecular Weight: 563.74 g/mol
• Exact Mass: 563.26
• IUPAC Name: 3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine
• SMILES: CCc1cccc(-c2c3ccccc3c(-c3ccc4c(c3)CCC(c3cccc(-c5cccnc5)c3)=C4)c3ccccc23)c1
• InChI: InChI=1S/C43H33N/c1-2-29-10-7-13-35(24-29)42-38-15-3-5-17-40(38)43(41-18-6-4-16-39(41)42)36-22-21-33-26-32(19-20-34(33)27-36)30-11-8-12-31(25-30)37-14-9-23-44-28-37/h3-18,21-28H,2,19-20H2,1H3
• InChIKey: RQBGAADANBDIGN-UHFFFAOYSA-N
• XLogP: 11.44
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.74
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine?

The IUPAC name of 3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine (CID 88554441) is 3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine.

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

The canonical SMILES for 3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine is CCc1cccc(-c2c3ccccc3c(-c3ccc4c(c3)CCC(c3cccc(-c5cccnc5)c3)=C4)c3ccccc23)c1.

What is the InChIKey of 3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine?

The InChIKey is RQBGAADANBDIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-2-29-10-7-13-35(24-29)42-38-15-3-5-17-40(38)43(41-18-6-4-16-39(41)42)36-22-21-33-26-32(19-20-34(33)27-36)30-11-8-12-31(25-30)37-14-9-23-44-28-37/h3-18,21-28H,2,19-20H2,1H3.

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

3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine has a molecular weight of 563.74 g/mol, XLogP of 11.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine is sourced from PubChem (CID 88554441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).