2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine

C31H42N2O — CID 57061929

IUPAC2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine
SMILESCCCCCCCc1ccc(COc2cnc(-c3ccc(CCCCCCC)cc3)cn2)cc1
InChIInChI=1S/C31H42N2O/c1-3-5-7-9-11-13-26-15-17-28(18-16-26)25-34-31-24-32-30(23-33-31)29-21-19-27(20-22-29)14-12-10-8-6-4-2/h15-24H,3-14,25H2,1-2H3
InChIKeyNSQNHDASXGSYBN-UHFFFAOYSA-N
MW458.69 g/mol
LogP8.75
Rot. Bonds16

About 2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine

2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine (PubChem CID 57061929) has the molecular formula C31H42N2O and a molecular weight of 458.69 g/mol. Its IUPAC name is 2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine.

Molecular Properties

Compound Name2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine
PubChem CID57061929
Molecular FormulaC31H42N2O
Molecular Weight458.69 g/mol
Exact Mass458.33
IUPAC Name2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine
SMILESCCCCCCCc1ccc(COc2cnc(-c3ccc(CCCCCCC)cc3)cn2)cc1
InChIInChI=1S/C31H42N2O/c1-3-5-7-9-11-13-26-15-17-28(18-16-26)25-34-31-24-32-30(23-33-31)29-21-19-27(20-22-29)14-12-10-8-6-4-2/h15-24H,3-14,25H2,1-2H3
InChIKeyNSQNHDASXGSYBN-UHFFFAOYSA-N
XLogP8.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.69
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
CID 57317122
4-[5-[(4-octylphenyl)methoxy]pyrazin-2-yl]benzonitrile
CID 19859861
2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
CID 19859086
2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
CID 19859908
2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
CID 19859377
4-[5-[(4-propylphenyl)methoxy]pyrazin-2-yl]benzonitrile
CID 19859231
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2,5-bis(4-octylphenyl)pyridine
CID 139839621
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
2-heptoxy-5-(4-heptoxyphenyl)pyrazine
CID 19103384
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180

Frequently Asked Questions

What is the IUPAC name of 2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine?
The IUPAC name of 2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine (CID 57061929) is 2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine.
What is the SMILES notation for 2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine?
The canonical SMILES for 2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine is CCCCCCCc1ccc(COc2cnc(-c3ccc(CCCCCCC)cc3)cn2)cc1.
What is the InChIKey of 2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine?
The InChIKey is NSQNHDASXGSYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2O/c1-3-5-7-9-11-13-26-15-17-28(18-16-26)25-34-31-24-32-30(23-33-31)29-21-19-27(20-22-29)14-12-10-8-6-4-2/h15-24H,3-14,25H2,1-2H3.
What are the key properties of 2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine?
2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine has a molecular weight of 458.69 g/mol, XLogP of 8.75, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine is sourced from PubChem (CID 57061929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).