5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine

C31H21N5 — CID 132536986

IUPAC5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine
SMILESc1ccc(-c2ccccc2-c2nnc(-c3ncccn3)nc2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C31H21N5/c1-3-12-22(13-4-1)24-16-7-9-18-26(24)28-29(35-36-31(34-28)30-32-20-11-21-33-30)27-19-10-8-17-25(27)23-14-5-2-6-15-23/h1-21H
InChIKeyPRHQECSAPUNWRE-UHFFFAOYSA-N
MW463.54 g/mol
LogP7.00
Rot. Bonds5

About 5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine

5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine (PubChem CID 132536986) has the molecular formula C31H21N5 and a molecular weight of 463.54 g/mol. Its IUPAC name is 5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine
PubChem CID132536986
Molecular FormulaC31H21N5
Molecular Weight463.54 g/mol
Exact Mass463.18
IUPAC Name5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine
SMILESc1ccc(-c2ccccc2-c2nnc(-c3ncccn3)nc2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C31H21N5/c1-3-12-22(13-4-1)24-16-7-9-18-26(24)28-29(35-36-31(34-28)30-32-20-11-21-33-30)27-19-10-8-17-25(27)23-14-5-2-6-15-23/h1-21H
InChIKeyPRHQECSAPUNWRE-UHFFFAOYSA-N
XLogP7.00
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-phenyl-2-pyridinyl)pyrimidine
CID 67877581
2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine
CID 58947716
2-(2-phenyl-3-pyridinyl)pyrimidine
CID 58421043
2-phenylpyrimidine
CID 593578
5-chloro-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 14642993
2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine
CID 134997336
3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane
CID 158126148
2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine
CID 175810946
5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid
CID 161147444

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine?
The IUPAC name of 5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine (CID 132536986) is 5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine.
What is the SMILES notation for 5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine?
The canonical SMILES for 5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine is c1ccc(-c2ccccc2-c2nnc(-c3ncccn3)nc2-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine?
The InChIKey is PRHQECSAPUNWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N5/c1-3-12-22(13-4-1)24-16-7-9-18-26(24)28-29(35-36-31(34-28)30-32-20-11-21-33-30)27-19-10-8-17-25(27)23-14-5-2-6-15-23/h1-21H.
What are the key properties of 5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine?
5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine has a molecular weight of 463.54 g/mol, XLogP of 7.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine is sourced from PubChem (CID 132536986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).