2-benzo[a]anthracen-1-ylpyrazine

C22H14N2 — CID 163742161

IUPAC2-benzo[a]anthracen-1-ylpyrazine
SMILESc1ccc2cc3c(ccc4cccc(-c5cnccn5)c43)cc2c1
InChIInChI=1S/C22H14N2/c1-2-5-17-13-20-18(12-16(17)4-1)9-8-15-6-3-7-19(22(15)20)21-14-23-10-11-24-21/h1-14H
InChIKeyLIRXANHEEUXTDB-UHFFFAOYSA-N
MW306.37 g/mol
LogP5.60
Rot. Bonds1

About 2-benzo[a]anthracen-1-ylpyrazine

2-benzo[a]anthracen-1-ylpyrazine (PubChem CID 163742161) has the molecular formula C22H14N2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-benzo[a]anthracen-1-ylpyrazine.

Molecular Properties

Compound Name2-benzo[a]anthracen-1-ylpyrazine
PubChem CID163742161
Molecular FormulaC22H14N2
Molecular Weight306.37 g/mol
Exact Mass306.12
IUPAC Name2-benzo[a]anthracen-1-ylpyrazine
SMILESc1ccc2cc3c(ccc4cccc(-c5cnccn5)c43)cc2c1
InChIInChI=1S/C22H14N2/c1-2-5-17-13-20-18(12-16(17)4-1)9-8-15-6-3-7-19(22(15)20)21-14-23-10-11-24-21/h1-14H
InChIKeyLIRXANHEEUXTDB-UHFFFAOYSA-N
XLogP5.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 55.60
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

5-benzo[a]anthracen-1-ylquinoxaline
CID 143739658
1-[3-isoquinolin-1-yl-5-(6-pyrazin-2-ylpyren-1-yl)phenyl]isoquinoline
CID 144554024
2-[2-(2-phenylphenyl)phenyl]pyrazine
CID 141475605
2-(2-pyridin-2-ylphenyl)pyrazine
CID 91494990
3-[2-[3,5-bis(2-pyridin-3-ylphenyl)phenanthren-1-yl]phenyl]pyridine
CID 175191352
2-[5-[3-(10-hexacyclo[11.10.1.03,8.09,24.014,23.015,20]tetracosa-1,3,5,7,9,11,13(24),14(23),15,17,19,21-dodecaenyl)phenyl]naphthalen-2-yl]pyrazine
CID 137458865
2-(1-pyridin-2-ylanthracen-2-yl)pyridine
CID 19367617
5-anthracen-1-yl-2-pyridin-2-ylpyridine
CID 58813785
2-benzo[a]anthracen-1-ylthiophene
CID 134811682
pentaphene;perylene
CID 159419403
2-(10-benzo[a]anthracen-4-ylanthracen-9-yl)-4,6-dipyridin-3-ylpyrimidine
CID 88897364
azane;benzo[a]anthracen-1-ol
CID 87178862

Frequently Asked Questions

What is the IUPAC name of 2-benzo[a]anthracen-1-ylpyrazine?
The IUPAC name of 2-benzo[a]anthracen-1-ylpyrazine (CID 163742161) is 2-benzo[a]anthracen-1-ylpyrazine.
What is the SMILES notation for 2-benzo[a]anthracen-1-ylpyrazine?
The canonical SMILES for 2-benzo[a]anthracen-1-ylpyrazine is c1ccc2cc3c(ccc4cccc(-c5cnccn5)c43)cc2c1.
What is the InChIKey of 2-benzo[a]anthracen-1-ylpyrazine?
The InChIKey is LIRXANHEEUXTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2/c1-2-5-17-13-20-18(12-16(17)4-1)9-8-15-6-3-7-19(22(15)20)21-14-23-10-11-24-21/h1-14H.
What are the key properties of 2-benzo[a]anthracen-1-ylpyrazine?
2-benzo[a]anthracen-1-ylpyrazine has a molecular weight of 306.37 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[a]anthracen-1-ylpyrazine is sourced from PubChem (CID 163742161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).