3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine

C42H30N2 — CID 122642642

About 3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine

3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine (PubChem CID 122642642) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine.

Molecular Properties

• Compound Name: 3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine
• PubChem CID: 122642642
• Molecular Formula: C42H30N2
• Molecular Weight: 562.72 g/mol
• Exact Mass: 562.24
• IUPAC Name: 3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine
• SMILES: Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cnccc5C)c5ccccc45)c4ccccc34)cc2)c1
• InChI: InChI=1S/C42H30N2/c1-27-23-31(25-44-24-27)29-15-17-30(18-16-29)41-35-11-5-7-13-37(35)42(38-14-8-6-12-36(38)41)39-20-19-34(32-9-3-4-10-33(32)39)40-26-43-22-21-28(40)2/h3-26H,1-2H3
• InChIKey: JZOPKIKKLLTTFI-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.72
LogP ≤ 5	11.22
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-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine?

The IUPAC name of 3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine (CID 122642642) is 3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine.

What is the SMILES notation for 3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine?

The canonical SMILES for 3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine is Cc1cncc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cnccc5C)c5ccccc45)c4ccccc34)cc2)c1.

What is the InChIKey of 3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine?

The InChIKey is JZOPKIKKLLTTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-27-23-31(25-44-24-27)29-15-17-30(18-16-29)41-35-11-5-7-13-37(35)42(38-14-8-6-12-36(38)41)39-20-19-34(32-9-3-4-10-33(32)39)40-26-43-22-21-28(40)2/h3-26H,1-2H3.

What are the key properties of 3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine?

3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine has a molecular weight of 562.72 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[4-[10-[4-(4-methyl-3-pyridinyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 122642642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).