5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline

C35H24N4 — CID 10006180

IUPAC5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
SMILESCc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C35H24N4/c1-23-22-28-34(38-31(25-16-8-3-9-17-25)30(36-28)24-14-6-2-7-15-24)35-29(23)37-32(26-18-10-4-11-19-26)33(39-35)27-20-12-5-13-21-27/h2-22H,1H3
InChIKeyGYTIXFRTFIZPLL-UHFFFAOYSA-N
MW500.61 g/mol
LogP8.55
Rot. Bonds4

About 5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline

5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline (PubChem CID 10006180) has the molecular formula C35H24N4 and a molecular weight of 500.61 g/mol. Its IUPAC name is 5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline.

Molecular Properties

Compound Name5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
PubChem CID10006180
Molecular FormulaC35H24N4
Molecular Weight500.61 g/mol
Exact Mass500.20
IUPAC Name5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
SMILESCc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C35H24N4/c1-23-22-28-34(38-31(25-16-8-3-9-17-25)30(36-28)24-14-6-2-7-15-24)35-29(23)37-32(26-18-10-4-11-19-26)33(39-35)27-20-12-5-13-21-27/h2-22H,1H3
InChIKeyGYTIXFRTFIZPLL-UHFFFAOYSA-N
XLogP8.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.61
LogP ≤ 58.55
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

2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 18504282
4-[4-[5,7-dimethyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]-N,N-diphenylaniline
CID 59702496
6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
CID 71729476
2,4,8-trimethyl-6-phenylphenanthridine
CID 122225138
iridium;3-methyl-2-phenylquinoline
CID 174474394
4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
CID 59650549
6-methyl-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-2,3-diphenylpyrazino[2,3-k]phenanthridine
CID 165002252
2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine
CID 134914577
5,7-bis(5-methylthiophen-2-yl)-2,3-diphenylthieno[3,4-b]pyrazine
CID 59779487
3-(4-methylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 59090361
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline?
The IUPAC name of 5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline (CID 10006180) is 5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline.
What is the SMILES notation for 5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline?
The canonical SMILES for 5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline is Cc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2nc(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of 5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline?
The InChIKey is GYTIXFRTFIZPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N4/c1-23-22-28-34(38-31(25-16-8-3-9-17-25)30(36-28)24-14-6-2-7-15-24)35-29(23)37-32(26-18-10-4-11-19-26)33(39-35)27-20-12-5-13-21-27/h2-22H,1H3.
What are the key properties of 5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline?
5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline has a molecular weight of 500.61 g/mol, XLogP of 8.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline is sourced from PubChem (CID 10006180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).