2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline

C42H42N4 — CID 158294844

IUPAC2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline
SMILESCc1ccc(-c2nc3c(C)ccc(C)c3nc2-c2ccc(C)c(C)c2)cc1C.Cc1cnc2c(c1)c(C)c(C)c1cc(C)cnc12
InChIInChI=1S/C26H26N2.C16H16N2/c1-15-9-11-21(13-19(15)5)25-26(22-12-10-16(2)20(6)14-22)28-24-18(4)8-7-17(3)23(24)27-25;1-9-5-13-11(3)12(4)14-6-10(2)8-18-16(14)15(13)17-7-9/h7-14H,1-6H3;5-8H,1-4H3
InChIKeyGLUBFFQUJXUPPT-UHFFFAOYSA-N
MW602.83 g/mol
LogP10.83
Rot. Bonds2

About 2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline

2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline (PubChem CID 158294844) has the molecular formula C42H42N4 and a molecular weight of 602.83 g/mol. Its IUPAC name is 2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline.

Molecular Properties

Compound Name2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline
PubChem CID158294844
Molecular FormulaC42H42N4
Molecular Weight602.83 g/mol
Exact Mass602.34
IUPAC Name2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline
SMILESCc1ccc(-c2nc3c(C)ccc(C)c3nc2-c2ccc(C)c(C)c2)cc1C.Cc1cnc2c(c1)c(C)c(C)c1cc(C)cnc12
InChIInChI=1S/C26H26N2.C16H16N2/c1-15-9-11-21(13-19(15)5)25-26(22-12-10-16(2)20(6)14-22)28-24-18(4)8-7-17(3)23(24)27-25;1-9-5-13-11(3)12(4)14-6-10(2)8-18-16(14)15(13)17-7-9/h7-14H,1-6H3;5-8H,1-4H3
InChIKeyGLUBFFQUJXUPPT-UHFFFAOYSA-N
XLogP10.83
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.83
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,8-dimethyl-1,10-phenanthroline
CID 159392628
2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine
CID 123499908
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
6-(3,4-dimethylphenyl)pteridine-2,4,7-triamine
CID 125484319
3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline
CID 175546630
4-bromo-5-(3,4-dimethylphenyl)pyrimidine
CID 105371046
2-(3,4-dimethylphenyl)-3,7-dimethylquinoline
CID 58871250
1,2,4-trimethylbenzene;2,3,5-trimethylpyridine
CID 159863810
1-(3,4-dimethylphenyl)-2,3,5-trimethylbenzene
CID 143062787
2-(3,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyrimidine
CID 177180602
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
CID 159618631
3,6,8-trimethylquinoline
CID 15109946

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline?
The IUPAC name of 2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline (CID 158294844) is 2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline.
What is the SMILES notation for 2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline?
The canonical SMILES for 2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline is Cc1ccc(-c2nc3c(C)ccc(C)c3nc2-c2ccc(C)c(C)c2)cc1C.Cc1cnc2c(c1)c(C)c(C)c1cc(C)cnc12.
What is the InChIKey of 2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline?
The InChIKey is GLUBFFQUJXUPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2.C16H16N2/c1-15-9-11-21(13-19(15)5)25-26(22-12-10-16(2)20(6)14-22)28-24-18(4)8-7-17(3)23(24)27-25;1-9-5-13-11(3)12(4)14-6-10(2)8-18-16(14)15(13)17-7-9/h7-14H,1-6H3;5-8H,1-4H3.
What are the key properties of 2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline?
2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline has a molecular weight of 602.83 g/mol, XLogP of 10.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3,4-dimethylphenyl)-5,8-dimethylquinoxaline;3,5,6,8-tetramethyl-1,10-phenanthroline is sourced from PubChem (CID 158294844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).