2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline

C23H16N2 — CID 158149711

IUPAC2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline
SMILESc1ccc2cc(Cc3cnc4ccc5ccccc5c4n3)ccc2c1
InChIInChI=1S/C23H16N2/c1-2-7-19-13-16(9-10-17(19)5-1)14-20-15-24-22-12-11-18-6-3-4-8-21(18)23(22)25-20/h1-13,15H,14H2
InChIKeyVVSVXJPUGHCYKO-UHFFFAOYSA-N
MW320.40 g/mol
LogP5.53
Rot. Bonds2

About 2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline

2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline (PubChem CID 158149711) has the molecular formula C23H16N2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline
PubChem CID158149711
Molecular FormulaC23H16N2
Molecular Weight320.40 g/mol
Exact Mass320.13
IUPAC Name2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline
SMILESc1ccc2cc(Cc3cnc4ccc5ccccc5c4n3)ccc2c1
InChIInChI=1S/C23H16N2/c1-2-7-19-13-16(9-10-17(19)5-1)14-20-15-24-22-12-11-18-6-3-4-8-21(18)23(22)25-20/h1-13,15H,14H2
InChIKeyVVSVXJPUGHCYKO-UHFFFAOYSA-N
XLogP5.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(naphthalen-2-ylmethyl)quinoxaline
CID 158138489
2-(naphthalen-1-ylmethyl)benzo[f]quinoxaline
CID 158138493
7-methyl-2-(naphthalen-2-ylmethyl)quinoxaline
CID 146214329
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 9184
2-tert-butylbenzo[f]quinoxaline
CID 164810163
2-(4-phenylphenyl)benzo[f]quinoxaline
CID 164807898
2-benzylnaphthalene
CID 11948
5,7-dimethyl-2,3-bis(naphthalen-2-ylmethyl)thieno[3,4-b]pyrazine
CID 22085763
2-(naphthalen-2-ylmethyl)naphthalen-1-ol
CID 14854909
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363
anthracene;naphthalene;phenanthrene
CID 158591187

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline?
The IUPAC name of 2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline (CID 158149711) is 2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline.
What is the SMILES notation for 2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline?
The canonical SMILES for 2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline is c1ccc2cc(Cc3cnc4ccc5ccccc5c4n3)ccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline?
The InChIKey is VVSVXJPUGHCYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2/c1-2-7-19-13-16(9-10-17(19)5-1)14-20-15-24-22-12-11-18-6-3-4-8-21(18)23(22)25-20/h1-13,15H,14H2.
What are the key properties of 2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline?
2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline has a molecular weight of 320.40 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethyl)benzo[f]quinoxaline is sourced from PubChem (CID 158149711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).