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

C43H32N6 — CID 158126148

IUPAC3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane
SMILESC.c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6ccccc6)c(-c6ccccc6)n5)cc4)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C42H28N6.CH4/c1-5-13-31(14-6-1)37-39(33-17-9-3-10-18-33)45-47-41(43-37)35-25-21-29(22-26-35)30-23-27-36(28-24-30)42-44-38(32-15-7-2-8-16-32)40(46-48-42)34-19-11-4-12-20-34;/h1-28H;1H4
InChIKeyFSEVAZYPUOCPMY-UHFFFAOYSA-N
MW632.77 g/mol
LogP10.36
Rot. Bonds7

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

3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane (PubChem CID 158126148) has the molecular formula C43H32N6 and a molecular weight of 632.77 g/mol. Its IUPAC name is 3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane.

Molecular Properties

Compound Name3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane
PubChem CID158126148
Molecular FormulaC43H32N6
Molecular Weight632.77 g/mol
Exact Mass632.27
IUPAC Name3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane
SMILESC.c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6ccccc6)c(-c6ccccc6)n5)cc4)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C42H28N6.CH4/c1-5-13-31(14-6-1)37-39(33-17-9-3-10-18-33)45-47-41(43-37)35-25-21-29(22-26-35)30-23-27-36(28-24-30)42-44-38(32-15-7-2-8-16-32)40(46-48-42)34-19-11-4-12-20-34;/h1-28H;1H4
InChIKeyFSEVAZYPUOCPMY-UHFFFAOYSA-N
XLogP10.36
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.77
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine
CID 134997336
3,6-diphenyl-1,2,4-triazin-5-amine
CID 15532257
N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine
CID 6403262
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
2,9-bis(5,6-diphenyl-1,2,4-triazin-3-yl)-1,10-phenanthroline
CID 102314874
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
(3,6-diphenyl-1,2,4-triazin-5-yl)hydrazine
CID 6405036
6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine
CID 14740710
2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine
CID 134914577
2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole
CID 71374228
[6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-yl]hydrazine
CID 6405039
2-[4-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]phenyl]-1,10-phenanthroline
CID 156901494

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane?
The IUPAC name of 3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane (CID 158126148) is 3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane.
What is the SMILES notation for 3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane?
The canonical SMILES for 3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane is C.c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6ccccc6)c(-c6ccccc6)n5)cc4)cc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane?
The InChIKey is FSEVAZYPUOCPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N6.CH4/c1-5-13-31(14-6-1)37-39(33-17-9-3-10-18-33)45-47-41(43-37)35-25-21-29(22-26-35)30-23-27-36(28-24-30)42-44-38(32-15-7-2-8-16-32)40(46-48-42)34-19-11-4-12-20-34;/h1-28H;1H4.
What are the key properties of 3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane?
3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane has a molecular weight of 632.77 g/mol, XLogP of 10.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane is sourced from PubChem (CID 158126148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).