2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline

C40H24N2 — CID 167087783

About 2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline

2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline (PubChem CID 167087783) has the molecular formula C40H24N2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline
• PubChem CID: 167087783
• Molecular Formula: C40H24N2
• Molecular Weight: 532.65 g/mol
• Exact Mass: 532.19
• IUPAC Name: 2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline
• SMILES: c1ccc2cc(-c3nc4ccccc4nc3-c3cc4ccc5ccccc5c4c4ccc5ccccc5c34)ccc2c1
• InChI: InChI=1S/C40H24N2/c1-2-12-28-23-30(20-17-25(28)9-1)39-40(42-36-16-8-7-15-35(36)41-39)34-24-29-19-18-26-10-3-5-13-31(26)37(29)33-22-21-27-11-4-6-14-32(27)38(33)34/h1-24H
• InChIKey: UTQLTQNGLMNNLI-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.65
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline?

The IUPAC name of 2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline (CID 167087783) is 2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline.

What is the SMILES notation for 2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline?

The canonical SMILES for 2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline is c1ccc2cc(-c3nc4ccccc4nc3-c3cc4ccc5ccccc5c4c4ccc5ccccc5c34)ccc2c1.

What is the InChIKey of 2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline?

The InChIKey is UTQLTQNGLMNNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2/c1-2-12-28-23-30(20-17-25(28)9-1)39-40(42-36-16-8-7-15-35(36)41-39)34-24-29-19-18-26-10-3-5-13-31(26)37(29)33-22-21-27-11-4-6-14-32(27)38(33)34/h1-24H.

What are the key properties of 2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline?

2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline has a molecular weight of 532.65 g/mol, XLogP of 10.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-3-(13-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)quinoxaline is sourced from PubChem (CID 167087783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).