3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine

C30H22N2O — CID 59081570

IUPAC3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine
SMILESCOc1ccc(-c2nc3c4ccccc4c4ccccc4c3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H22N2O/c1-19-11-13-20(14-12-19)27-28(21-15-17-22(33-2)18-16-21)32-30-26-10-6-4-8-24(26)23-7-3-5-9-25(23)29(30)31-27/h3-18H,1-2H3
InChIKeyBOKUNFIDETXUEF-UHFFFAOYSA-N
MW426.52 g/mol
LogP7.59
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine

3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine (PubChem CID 59081570) has the molecular formula C30H22N2O and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine
PubChem CID59081570
Molecular FormulaC30H22N2O
Molecular Weight426.52 g/mol
Exact Mass426.17
IUPAC Name3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine
SMILESCOc1ccc(-c2nc3c4ccccc4c4ccccc4c3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H22N2O/c1-19-11-13-20(14-12-19)27-28(21-15-17-22(33-2)18-16-21)32-30-26-10-6-4-8-24(26)23-7-3-5-9-25(23)29(30)31-27/h3-18H,1-2H3
InChIKeyBOKUNFIDETXUEF-UHFFFAOYSA-N
XLogP7.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 57.59
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

3-(4-methylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 59090361
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
CID 21304154
3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine
CID 58019529
3-(4-methoxyphenyl)-4-(4-methylphenyl)isoquinoline
CID 122403203
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620164
1-(113C)methoxy-4-methylbenzene
CID 166176950
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline
CID 175418792
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine (CID 59081570) is 3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine is COc1ccc(-c2nc3c4ccccc4c4ccccc4c3nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine?
The InChIKey is BOKUNFIDETXUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O/c1-19-11-13-20(14-12-19)27-28(21-15-17-22(33-2)18-16-21)32-30-26-10-6-4-8-24(26)23-7-3-5-9-25(23)29(30)31-27/h3-18H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine?
3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine has a molecular weight of 426.52 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 59081570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).