5-benzo[a]anthracen-1-ylquinoxaline

C26H16N2 — CID 143739658

IUPAC5-benzo[a]anthracen-1-ylquinoxaline
SMILESc1ccc2cc3c(ccc4cccc(-c5cccc6nccnc56)c43)cc2c1
InChIInChI=1S/C26H16N2/c1-2-6-19-16-23-20(15-18(19)5-1)12-11-17-7-3-8-21(25(17)23)22-9-4-10-24-26(22)28-14-13-27-24/h1-16H
InChIKeyFCFLXENDFQLTSX-UHFFFAOYSA-N
MW356.43 g/mol
LogP6.76
Rot. Bonds1

About 5-benzo[a]anthracen-1-ylquinoxaline

5-benzo[a]anthracen-1-ylquinoxaline (PubChem CID 143739658) has the molecular formula C26H16N2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-benzo[a]anthracen-1-ylquinoxaline.

Molecular Properties

Compound Name5-benzo[a]anthracen-1-ylquinoxaline
PubChem CID143739658
Molecular FormulaC26H16N2
Molecular Weight356.43 g/mol
Exact Mass356.13
IUPAC Name5-benzo[a]anthracen-1-ylquinoxaline
SMILESc1ccc2cc3c(ccc4cccc(-c5cccc6nccnc56)c43)cc2c1
InChIInChI=1S/C26H16N2/c1-2-6-19-16-23-20(15-18(19)5-1)12-11-17-7-3-8-21(25(17)23)22-9-4-10-24-26(22)28-14-13-27-24/h1-16H
InChIKeyFCFLXENDFQLTSX-UHFFFAOYSA-N
XLogP6.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-benzo[a]anthracen-1-ylpyrazine
CID 163742161
pyrene;quinoxaline
CID 160801316
2-quinoxalin-5-ylquinazoline
CID 91555305
4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline
CID 59845165
5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline
CID 118672860
2-benzo[a]anthracen-1-ylthiophene
CID 134811682
5-(2-benzo[a]anthracen-4-ylpyrimidin-5-yl)-10-phenylpyrazino[2,3-g]quinoxaline
CID 88868892
5-[4-[6-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-quinoxalin-5-yl-1,3,5-triazin-2-yl]quinoxaline
CID 146230735
6,9-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 87476732
benzo[a]pyrene;fluoranthene;naphthalene;phenanthrene;pyrene
CID 159525445
pentaphene;perylene
CID 159419403
benzo[a]anthracen-1-ol;methane
CID 88728153

Frequently Asked Questions

What is the IUPAC name of 5-benzo[a]anthracen-1-ylquinoxaline?
The IUPAC name of 5-benzo[a]anthracen-1-ylquinoxaline (CID 143739658) is 5-benzo[a]anthracen-1-ylquinoxaline.
What is the SMILES notation for 5-benzo[a]anthracen-1-ylquinoxaline?
The canonical SMILES for 5-benzo[a]anthracen-1-ylquinoxaline is c1ccc2cc3c(ccc4cccc(-c5cccc6nccnc56)c43)cc2c1.
What is the InChIKey of 5-benzo[a]anthracen-1-ylquinoxaline?
The InChIKey is FCFLXENDFQLTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2/c1-2-6-19-16-23-20(15-18(19)5-1)12-11-17-7-3-8-21(25(17)23)22-9-4-10-24-26(22)28-14-13-27-24/h1-16H.
What are the key properties of 5-benzo[a]anthracen-1-ylquinoxaline?
5-benzo[a]anthracen-1-ylquinoxaline has a molecular weight of 356.43 g/mol, XLogP of 6.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzo[a]anthracen-1-ylquinoxaline is sourced from PubChem (CID 143739658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).