2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine

C30H20N4 — CID 134914577

IUPAC2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine
SMILESc1ccc(-c2nc3c(-c4ccccc4)nnc(-c4ccccc4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C30H20N4/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)32-30-28(24-19-11-4-12-20-24)34-33-27(29(30)31-25)23-17-9-3-10-18-23/h1-20H
InChIKeyQEBMGLYDOHLZSJ-UHFFFAOYSA-N
MW436.52 g/mol
LogP7.09
Rot. Bonds4

About 2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine

2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine (PubChem CID 134914577) has the molecular formula C30H20N4 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine.

Molecular Properties

Compound Name2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine
PubChem CID134914577
Molecular FormulaC30H20N4
Molecular Weight436.52 g/mol
Exact Mass436.17
IUPAC Name2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine
SMILESc1ccc(-c2nc3c(-c4ccccc4)nnc(-c4ccccc4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C30H20N4/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)32-30-28(24-19-11-4-12-20-24)34-33-27(29(30)31-25)23-17-9-3-10-18-23/h1-20H
InChIKeyQEBMGLYDOHLZSJ-UHFFFAOYSA-N
XLogP7.09
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
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
3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane
CID 158126148
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
2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine
CID 88869157
2,9-bis(5,6-diphenyl-1,2,4-triazin-3-yl)-1,10-phenanthroline
CID 102314874
3-(4-methylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 59090361
5-N,8-N,2,3-tetraphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
CID 58988993
4,5,10,11,16,17-hexakis(4-phenoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 86035796
2,3-diphenylpyrazino[2,3-b]pyrazine
CID 141468009
6,7-diphenyl-4,9-bis[4-(4-phenylphenyl)phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 139352086

Frequently Asked Questions

What is the IUPAC name of 2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine?
The IUPAC name of 2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine (CID 134914577) is 2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine.
What is the SMILES notation for 2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine?
The canonical SMILES for 2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine is c1ccc(-c2nc3c(-c4ccccc4)nnc(-c4ccccc4)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine?
The InChIKey is QEBMGLYDOHLZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)32-30-28(24-19-11-4-12-20-24)34-33-27(29(30)31-25)23-17-9-3-10-18-23/h1-20H.
What are the key properties of 2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine?
2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine has a molecular weight of 436.52 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine is sourced from PubChem (CID 134914577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).