6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline

C37H27N3 — CID 171766210

About 6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline

6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline (PubChem CID 171766210) has the molecular formula C37H27N3 and a molecular weight of 513.64 g/mol. Its IUPAC name is 6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline.

Molecular Properties

• Compound Name: 6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline
• PubChem CID: 171766210
• Molecular Formula: C37H27N3
• Molecular Weight: 513.64 g/mol
• Exact Mass: 513.22
• IUPAC Name: 6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline
• SMILES: Cc1ccnc(-c2cccc(-c3cccc(-c4cc5ncccc5c5ccc(-c6ccccn6)cc45)c3C)c2)c1
• InChI: InChI=1S/C37H27N3/c1-24-16-19-40-36(20-24)27-9-5-8-26(21-27)29-10-6-11-30(25(29)2)34-23-37-32(12-7-18-39-37)31-15-14-28(22-33(31)34)35-13-3-4-17-38-35/h3-23H,1-2H3
• InChIKey: UDTNDGRJZFKFPR-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.64
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline?

The IUPAC name of 6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline (CID 171766210) is 6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline.

What is the SMILES notation for 6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline?

The canonical SMILES for 6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline is Cc1ccnc(-c2cccc(-c3cccc(-c4cc5ncccc5c5ccc(-c6ccccn6)cc45)c3C)c2)c1.

What is the InChIKey of 6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline?

The InChIKey is UDTNDGRJZFKFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3/c1-24-16-19-40-36(20-24)27-9-5-8-26(21-27)29-10-6-11-30(25(29)2)34-23-37-32(12-7-18-39-37)31-15-14-28(22-33(31)34)35-13-3-4-17-38-35/h3-23H,1-2H3.

What are the key properties of 6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline?

6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline has a molecular weight of 513.64 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline is sourced from PubChem (CID 171766210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).