5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine

C28H18N8 — CID 146551238

IUPAC5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
SMILESc1ccc(-c2cnnc(-c3cccc(-c4cccc(-c5nncc(-c6ccccc6)n5)n4)n3)n2)cc1
InChIInChI=1S/C28H18N8/c1-3-9-19(10-4-1)25-17-29-35-27(33-25)23-15-7-13-21(31-23)22-14-8-16-24(32-22)28-34-26(18-30-36-28)20-11-5-2-6-12-20/h1-18H
InChIKeyFIQNNZDPOJPWLH-UHFFFAOYSA-N
MW466.51 g/mol
LogP5.18
Rot. Bonds5

About 5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine

5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine (PubChem CID 146551238) has the molecular formula C28H18N8 and a molecular weight of 466.51 g/mol. Its IUPAC name is 5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine.

Molecular Properties

Compound Name5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
PubChem CID146551238
Molecular FormulaC28H18N8
Molecular Weight466.51 g/mol
Exact Mass466.17
IUPAC Name5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
SMILESc1ccc(-c2cnnc(-c3cccc(-c4cccc(-c5nncc(-c6ccccc6)n5)n4)n3)n2)cc1
InChIInChI=1S/C28H18N8/c1-3-9-19(10-4-1)25-17-29-35-27(33-25)23-15-7-13-21(31-23)22-14-8-16-24(32-22)28-34-26(18-30-36-28)20-11-5-2-6-12-20/h1-18H
InChIKeyFIQNNZDPOJPWLH-UHFFFAOYSA-N
XLogP5.18
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine with MolForge

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Launch Full Analysis

Related Compounds

3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
CID 67041293
5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
CID 15440910
2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline
CID 129265651
3-[2,6-bis(5-pyridin-2-yl-1,2,4-triazin-3-yl)-4-pyridinyl]-5-pyridin-2-yl-1,2,4-triazine
CID 15424694
2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile
CID 10382230
2,4-dimethyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazine
CID 14580779
2-methyl-6-(6-phenyl-2-pyridinyl)pyridine
CID 14698682
2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole
CID 59236801
5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine
CID 6401202
2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273782
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
5-chloro-3-phenyl-1,2,4-triazine
CID 116823690

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine?
The IUPAC name of 5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine (CID 146551238) is 5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine.
What is the SMILES notation for 5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine?
The canonical SMILES for 5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine is c1ccc(-c2cnnc(-c3cccc(-c4cccc(-c5nncc(-c6ccccc6)n5)n4)n3)n2)cc1.
What is the InChIKey of 5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine?
The InChIKey is FIQNNZDPOJPWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N8/c1-3-9-19(10-4-1)25-17-29-35-27(33-25)23-15-7-13-21(31-23)22-14-8-16-24(32-22)28-34-26(18-30-36-28)20-11-5-2-6-12-20/h1-18H.
What are the key properties of 5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine?
5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine has a molecular weight of 466.51 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine is sourced from PubChem (CID 146551238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).