3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine

C23H16N2O — CID 58019529

IUPAC3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine
SMILESCOc1ccc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc1
InChIInChI=1S/C23H16N2O/c1-26-16-12-10-15(11-13-16)21-14-24-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23(22)25-21/h2-14H,1H3
InChIKeyCYBGDLGJVLZTHM-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.61
Rot. Bonds2

About 3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine

3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine (PubChem CID 58019529) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine
PubChem CID58019529
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine
SMILESCOc1ccc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc1
InChIInChI=1S/C23H16N2O/c1-26-16-12-10-15(11-13-16)21-14-24-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23(22)25-21/h2-14H,1H3
InChIKeyCYBGDLGJVLZTHM-UHFFFAOYSA-N
XLogP5.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline
CID 58224554
3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine
CID 86679313
3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine
CID 59081570
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
CID 21304154
3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;2-phenyl-3-[4-[4-(2-phenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 159278418
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 118474143
3-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89475592
2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline
CID 129060956
tris(3-(4-tert-butylphenyl)-12H-phenanthro[9,10-b]pyrazin-12-ide);iridium(3+)
CID 58224667
3-[4-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063888
3-[4-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063744
5-[4-(4-methoxyphenyl)phenyl]pyrazin-2-amine
CID 25140980

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine (CID 58019529) is 3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine is COc1ccc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine?
The InChIKey is CYBGDLGJVLZTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c1-26-16-12-10-15(11-13-16)21-14-24-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23(22)25-21/h2-14H,1H3.
What are the key properties of 3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine?
3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine has a molecular weight of 336.39 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 58019529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).