7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium

C26H23N2O2+ — CID 59755253

IUPAC7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium
SMILESCOc1ccc2c(c1)c1cc(OC)cc(C)c1c1c2nc(-c2ccccc2)c[n+]1C
InChIInChI=1S/C26H23N2O2/c1-16-12-19(30-4)14-22-21-13-18(29-3)10-11-20(21)25-26(24(16)22)28(2)15-23(27-25)17-8-6-5-7-9-17/h5-15H,1-4H3/q+1
InChIKeyVSPCERITWNQBHO-UHFFFAOYSA-N
MW395.48 g/mol
LogP5.36
Rot. Bonds3

About 7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium

7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium (PubChem CID 59755253) has the molecular formula C26H23N2O2+ and a molecular weight of 395.48 g/mol. Its IUPAC name is 7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium.

Molecular Properties

Compound Name7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium
PubChem CID59755253
Molecular FormulaC26H23N2O2+
Molecular Weight395.48 g/mol
Exact Mass395.18
IUPAC Name7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium
SMILESCOc1ccc2c(c1)c1cc(OC)cc(C)c1c1c2nc(-c2ccccc2)c[n+]1C
InChIInChI=1S/C26H23N2O2/c1-16-12-19(30-4)14-22-21-13-18(29-3)10-11-20(21)25-26(24(16)22)28(2)15-23(27-25)17-8-6-5-7-9-17/h5-15H,1-4H3/q+1
InChIKeyVSPCERITWNQBHO-UHFFFAOYSA-N
XLogP5.36
TPSA35.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,12-dimethyl-3,7-diphenylphenanthro[9,10-b]pyrazin-1-ium
CID 58224559
1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium
CID 59755252
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138
4,7-bis(2,4-dimethoxyphenyl)-2,9-diphenyl-1,10-phenanthroline
CID 70909545
7-methoxy-1-methyl-3-phenylnaphthalene
CID 53497213
2-(4-methoxyphenyl)-6-methyl-4-phenylpyridine
CID 10333611
4-iodo-7-methoxy-2-phenylquinoline
CID 143031618
8-methoxy-2,4-diphenyl-5H-pyrido[3,2-b]indole
CID 132573450
9-methoxy-2-methyl-6-phenylphenanthridine
CID 50902217
(7-methoxy-2-phenylquinolin-4-yl) hypofluorite
CID 143605848
3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
CID 154708061
2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene
CID 11603199

Frequently Asked Questions

What is the IUPAC name of 7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium?
The IUPAC name of 7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium (CID 59755253) is 7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium.
What is the SMILES notation for 7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium?
The canonical SMILES for 7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium is COc1ccc2c(c1)c1cc(OC)cc(C)c1c1c2nc(-c2ccccc2)c[n+]1C.
What is the InChIKey of 7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium?
The InChIKey is VSPCERITWNQBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N2O2/c1-16-12-19(30-4)14-22-21-13-18(29-3)10-11-20(21)25-26(24(16)22)28(2)15-23(27-25)17-8-6-5-7-9-17/h5-15H,1-4H3/q+1.
What are the key properties of 7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium?
7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium has a molecular weight of 395.48 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium is sourced from PubChem (CID 59755253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).