4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine

C26H22N4 — CID 141107806

IUPAC4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine
SMILESC1=NNC(c2ccccc2)(c2ccccc2)N(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C26H22N4/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)28-27-21-29(24-17-9-3-10-18-24)30(26)25-19-11-4-12-20-25/h1-21,28H
InChIKeyAYJWOHVRTGZIHZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.36
Rot. Bonds4

About 4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine

4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine (PubChem CID 141107806) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine.

Molecular Properties

Compound Name4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine
PubChem CID141107806
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine
SMILESC1=NNC(c2ccccc2)(c2ccccc2)N(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C26H22N4/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)28-27-21-29(24-17-9-3-10-18-24)30(26)25-19-11-4-12-20-25/h1-21,28H
InChIKeyAYJWOHVRTGZIHZ-UHFFFAOYSA-N
XLogP5.36
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine?
The IUPAC name of 4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine (CID 141107806) is 4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine.
What is the SMILES notation for 4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine?
The canonical SMILES for 4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine is C1=NNC(c2ccccc2)(c2ccccc2)N(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine?
The InChIKey is AYJWOHVRTGZIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)28-27-21-29(24-17-9-3-10-18-24)30(26)25-19-11-4-12-20-25/h1-21,28H.
What are the key properties of 4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine?
4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine has a molecular weight of 390.49 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,6-tetraphenyl-1H-1,2,4,5-tetrazine is sourced from PubChem (CID 141107806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).