2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline

C29H20N2O — CID 129060956

IUPAC2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline
SMILESCOc1ccc(-c2c3ccccc3c(-c3cnc4ccccc4n3)c3ccccc23)cc1
InChIInChI=1S/C29H20N2O/c1-32-20-16-14-19(15-17-20)28-21-8-2-4-10-23(21)29(24-11-5-3-9-22(24)28)27-18-30-25-12-6-7-13-26(25)31-27/h2-18H,1H3
InChIKeyHZLSLGSNTAQUPG-UHFFFAOYSA-N
MW412.49 g/mol
LogP7.28
Rot. Bonds3

About 2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline

2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline (PubChem CID 129060956) has the molecular formula C29H20N2O and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline.

Molecular Properties

Compound Name2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline
PubChem CID129060956
Molecular FormulaC29H20N2O
Molecular Weight412.49 g/mol
Exact Mass412.16
IUPAC Name2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline
SMILESCOc1ccc(-c2c3ccccc3c(-c3cnc4ccccc4n3)c3ccccc23)cc1
InChIInChI=1S/C29H20N2O/c1-32-20-16-14-19(15-17-20)28-21-8-2-4-10-23(21)29(24-11-5-3-9-22(24)28)27-18-30-25-12-6-7-13-26(25)31-27/h2-18H,1H3
InChIKeyHZLSLGSNTAQUPG-UHFFFAOYSA-N
XLogP7.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline?
The IUPAC name of 2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline (CID 129060956) is 2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline.
What is the SMILES notation for 2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline?
The canonical SMILES for 2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline is COc1ccc(-c2c3ccccc3c(-c3cnc4ccccc4n3)c3ccccc23)cc1.
What is the InChIKey of 2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline?
The InChIKey is HZLSLGSNTAQUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2O/c1-32-20-16-14-19(15-17-20)28-21-8-2-4-10-23(21)29(24-11-5-3-9-22(24)28)27-18-30-25-12-6-7-13-26(25)31-27/h2-18H,1H3.
What are the key properties of 2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline?
2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline has a molecular weight of 412.49 g/mol, XLogP of 7.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline is sourced from PubChem (CID 129060956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).