6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one

C34H26N8O2 — CID 102052549

IUPAC6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one
SMILESO=C1N(c2ccccc2)N=C(c2ccc(C3=NN(c4ccccc4)C(=O)N(c4ccccc4)N3)cc2)NN1c1ccccc1
InChIInChI=1S/C34H26N8O2/c43-33-39(27-13-5-1-6-14-27)35-31(36-40(33)28-15-7-2-8-16-28)25-21-23-26(24-22-25)32-37-41(29-17-9-3-10-18-29)34(44)42(38-32)30-19-11-4-12-20-30/h1-24H,(H,35,36)(H,37,38)
InChIKeyQGBVNMKWLXPEEQ-UHFFFAOYSA-N
MW578.64 g/mol
LogP6.31
Rot. Bonds6

About 6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one

6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one (PubChem CID 102052549) has the molecular formula C34H26N8O2 and a molecular weight of 578.64 g/mol. Its IUPAC name is 6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one.

Molecular Properties

Compound Name6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one
PubChem CID102052549
Molecular FormulaC34H26N8O2
Molecular Weight578.64 g/mol
Exact Mass578.22
IUPAC Name6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one
SMILESO=C1N(c2ccccc2)N=C(c2ccc(C3=NN(c4ccccc4)C(=O)N(c4ccccc4)N3)cc2)NN1c1ccccc1
InChIInChI=1S/C34H26N8O2/c43-33-39(27-13-5-1-6-14-27)35-31(36-40(33)28-15-7-2-8-16-28)25-21-23-26(24-22-25)32-37-41(29-17-9-3-10-18-29)34(44)42(38-32)30-19-11-4-12-20-30/h1-24H,(H,35,36)(H,37,38)
InChIKeyQGBVNMKWLXPEEQ-UHFFFAOYSA-N
XLogP6.31
TPSA95.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.64
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one?
The IUPAC name of 6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one (CID 102052549) is 6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one.
What is the SMILES notation for 6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one?
The canonical SMILES for 6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one is O=C1N(c2ccccc2)N=C(c2ccc(C3=NN(c4ccccc4)C(=O)N(c4ccccc4)N3)cc2)NN1c1ccccc1.
What is the InChIKey of 6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one?
The InChIKey is QGBVNMKWLXPEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N8O2/c43-33-39(27-13-5-1-6-14-27)35-31(36-40(33)28-15-7-2-8-16-28)25-21-23-26(24-22-25)32-37-41(29-17-9-3-10-18-29)34(44)42(38-32)30-19-11-4-12-20-30/h1-24H,(H,35,36)(H,37,38).
What are the key properties of 6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one?
6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one has a molecular weight of 578.64 g/mol, XLogP of 6.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-oxo-2,4-diphenyl-1H-1,2,4,5-tetrazin-6-yl)phenyl]-2,4-diphenyl-1H-1,2,4,5-tetrazin-3-one is sourced from PubChem (CID 102052549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).