2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline

C54H42N6 — CID 18504282

IUPAC2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
SMILESCc1cc2nc(-c3ccccc3)c(-c3cc(-c4nc5cc(C)c(C)cc5nc4-c4ccccc4)cc(-c4nc5cc(C)c(C)cc5nc4-c4ccccc4)c3)nc2cc1C
InChIInChI=1S/C54H42N6/c1-31-22-43-46(25-34(31)4)58-52(49(55-43)37-16-10-7-11-17-37)40-28-41(53-50(38-18-12-8-13-19-38)56-44-23-32(2)35(5)26-47(44)59-53)30-42(29-40)54-51(39-20-14-9-15-21-39)57-45-24-33(3)36(6)27-48(45)60-54/h7-30H,1-6H3
InChIKeyHIWIQJLLQLAWMM-UHFFFAOYSA-N
MW774.97 g/mol
LogP13.37
Rot. Bonds6

About 2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline

2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline (PubChem CID 18504282) has the molecular formula C54H42N6 and a molecular weight of 774.97 g/mol. Its IUPAC name is 2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline.

Molecular Properties

Compound Name2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
PubChem CID18504282
Molecular FormulaC54H42N6
Molecular Weight774.97 g/mol
Exact Mass774.35
IUPAC Name2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
SMILESCc1cc2nc(-c3ccccc3)c(-c3cc(-c4nc5cc(C)c(C)cc5nc4-c4ccccc4)cc(-c4nc5cc(C)c(C)cc5nc4-c4ccccc4)c3)nc2cc1C
InChIInChI=1S/C54H42N6/c1-31-22-43-46(25-34(31)4)58-52(49(55-43)37-16-10-7-11-17-37)40-28-41(53-50(38-18-12-8-13-19-38)56-44-23-32(2)35(5)26-47(44)59-53)30-42(29-40)54-51(39-20-14-9-15-21-39)57-45-24-33(3)36(6)27-48(45)60-54/h7-30H,1-6H3
InChIKeyHIWIQJLLQLAWMM-UHFFFAOYSA-N
XLogP13.37
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline with MolForge

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Related Compounds

2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
CID 71729476
5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
CID 10006180
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline
CID 141430614
1-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-N,N-dimethylmethanamine
CID 10851136
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6,7-dimethyl-3-phenylquinoxaline
CID 132522555
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
iridium;3-methyl-2-phenylquinoline
CID 174474394
3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
CID 21026465
6-iodo-2-(4-methylphenyl)-3-phenylquinoxaline
CID 70894334
2,3-bis(3-phenylphenyl)quinoxaline
CID 154589163

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline?
The IUPAC name of 2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline (CID 18504282) is 2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline.
What is the SMILES notation for 2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline?
The canonical SMILES for 2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline is Cc1cc2nc(-c3ccccc3)c(-c3cc(-c4nc5cc(C)c(C)cc5nc4-c4ccccc4)cc(-c4nc5cc(C)c(C)cc5nc4-c4ccccc4)c3)nc2cc1C.
What is the InChIKey of 2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline?
The InChIKey is HIWIQJLLQLAWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N6/c1-31-22-43-46(25-34(31)4)58-52(49(55-43)37-16-10-7-11-17-37)40-28-41(53-50(38-18-12-8-13-19-38)56-44-23-32(2)35(5)26-47(44)59-53)30-42(29-40)54-51(39-20-14-9-15-21-39)57-45-24-33(3)36(6)27-48(45)60-54/h7-30H,1-6H3.
What are the key properties of 2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline?
2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline has a molecular weight of 774.97 g/mol, XLogP of 13.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline is sourced from PubChem (CID 18504282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).