9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline

C24H16N4S — CID 166512417

IUPAC9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESCC#Cc1c2nsnc2c(C)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C24H16N4S/c1-3-10-18-23-19(15(2)20-24(18)28-29-27-20)25-21(16-11-6-4-7-12-16)22(26-23)17-13-8-5-9-14-17/h4-9,11-14H,1-2H3
InChIKeyGSXTWBYQMLRJEU-UHFFFAOYSA-N
MW392.49 g/mol
LogP5.65
Rot. Bonds2

About 9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline

9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline (PubChem CID 166512417) has the molecular formula C24H16N4S and a molecular weight of 392.49 g/mol. Its IUPAC name is 9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
PubChem CID166512417
Molecular FormulaC24H16N4S
Molecular Weight392.49 g/mol
Exact Mass392.11
IUPAC Name9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESCC#Cc1c2nsnc2c(C)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C24H16N4S/c1-3-10-18-23-19(15(2)20-24(18)28-29-27-20)25-21(16-11-6-4-7-12-16)22(26-23)17-13-8-5-9-14-17/h4-9,11-14H,1-2H3
InChIKeyGSXTWBYQMLRJEU-UHFFFAOYSA-N
XLogP5.65
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6,7-diphenyl-4,9-bis[4-(4-phenylphenyl)phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 139352086
4-tert-butyl-7-methyl-6-phenyl-2,1,3-benzothiadiazole
CID 175042951
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
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
4-N,9-N-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-N,9-N,6,7-tetraphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline-4,9-diamine
CID 134185766
5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
CID 10006180
16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile
CID 71131770
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
5,8-diethynyl-2,3-diphenylquinoxaline
CID 5237239
1-(7-methyl-6-phenyl-2,1,3-benzothiadiazol-4-yl)ethanone
CID 175042469

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The IUPAC name of 9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline (CID 166512417) is 9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline.
What is the SMILES notation for 9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The canonical SMILES for 9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline is CC#Cc1c2nsnc2c(C)c2nc(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of 9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The InChIKey is GSXTWBYQMLRJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4S/c1-3-10-18-23-19(15(2)20-24(18)28-29-27-20)25-21(16-11-6-4-7-12-16)22(26-23)17-13-8-5-9-14-17/h4-9,11-14H,1-2H3.
What are the key properties of 9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline has a molecular weight of 392.49 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6,7-diphenyl-4-prop-1-ynyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline is sourced from PubChem (CID 166512417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).