1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium

C26H23N2+ — CID 59755252

IUPAC1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium
SMILESCc1ccc2c(c1)c1nc(-c3ccccc3)c[n+](C)c1c1c(C)ccc(C)c21
InChIInChI=1S/C26H23N2/c1-16-10-13-20-21(14-16)25-26(24-18(3)12-11-17(2)23(20)24)28(4)15-22(27-25)19-8-6-5-7-9-19/h5-15H,1-4H3/q+1
InChIKeyLODBUIQIWQIXAN-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.96
Rot. Bonds1

About 1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium

1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium (PubChem CID 59755252) has the molecular formula C26H23N2+ and a molecular weight of 363.48 g/mol. Its IUPAC name is 1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium.

Molecular Properties

Compound Name1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium
PubChem CID59755252
Molecular FormulaC26H23N2+
Molecular Weight363.48 g/mol
Exact Mass363.19
IUPAC Name1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium
SMILESCc1ccc2c(c1)c1nc(-c3ccccc3)c[n+](C)c1c1c(C)ccc(C)c21
InChIInChI=1S/C26H23N2/c1-16-10-13-20-21(14-16)25-26(24-18(3)12-11-17(2)23(20)24)28(4)15-22(27-25)19-8-6-5-7-9-19/h5-15H,1-4H3/q+1
InChIKeyLODBUIQIWQIXAN-UHFFFAOYSA-N
XLogP5.96
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
7,10-dimethoxy-1,12-dimethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium
CID 59755253
2,9-bis(2,5-dimethylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909605
4,6-dimethyl-1-(3-phenylphenyl)naphthalene
CID 171720909
2,4,8-trimethyl-6-phenylphenanthridine
CID 122225138
7-methyl-2,4-diphenyl-[1]benzofuro[3,2-b]pyridine
CID 156696990
3,5-dimethyl-9-phenylphenanthrene
CID 132535300
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
7-methyl-2,4-diphenylquinoline
CID 13048584
6,8-dimethyl-2-phenylquinolin-4-amine
CID 62201634
4-chloro-7,8-dimethyl-2-phenylquinoline
CID 43668735
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816

Frequently Asked Questions

What is the IUPAC name of 1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium?
The IUPAC name of 1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium (CID 59755252) is 1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium.
What is the SMILES notation for 1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium?
The canonical SMILES for 1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium is Cc1ccc2c(c1)c1nc(-c3ccccc3)c[n+](C)c1c1c(C)ccc(C)c21.
What is the InChIKey of 1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium?
The InChIKey is LODBUIQIWQIXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N2/c1-16-10-13-20-21(14-16)25-26(24-18(3)12-11-17(2)23(20)24)28(4)15-22(27-25)19-8-6-5-7-9-19/h5-15H,1-4H3/q+1.
What are the key properties of 1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium?
1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium has a molecular weight of 363.48 g/mol, XLogP of 5.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,9,12-tetramethyl-3-phenylphenanthro[9,10-b]pyrazin-1-ium is sourced from PubChem (CID 59755252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).