2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine

C37H25N5 — CID 122427629

IUPAC2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccncc5)cc4)cc(-c4ccc(-c5ccncc5)cc4)n3)cc2)nc1
InChIInChI=1S/C37H25N5/c1-2-20-40-34(3-1)30-12-14-33(15-13-30)37-41-35(31-8-4-26(5-9-31)28-16-21-38-22-17-28)25-36(42-37)32-10-6-27(7-11-32)29-18-23-39-24-19-29/h1-25H
InChIKeyVLUXHMRHJBZXOG-UHFFFAOYSA-N
MW539.64 g/mol
LogP8.66
Rot. Bonds6

About 2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine

2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine (PubChem CID 122427629) has the molecular formula C37H25N5 and a molecular weight of 539.64 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine
PubChem CID122427629
Molecular FormulaC37H25N5
Molecular Weight539.64 g/mol
Exact Mass539.21
IUPAC Name2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccncc5)cc4)cc(-c4ccc(-c5ccncc5)cc4)n3)cc2)nc1
InChIInChI=1S/C37H25N5/c1-2-20-40-34(3-1)30-12-14-33(15-13-30)37-41-35(31-8-4-26(5-9-31)28-16-21-38-22-17-28)25-36(42-37)32-10-6-27(7-11-32)29-18-23-39-24-19-29/h1-25H
InChIKeyVLUXHMRHJBZXOG-UHFFFAOYSA-N
XLogP8.66
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765773
2-pyridin-2-yl-4-pyridin-4-yl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 144765683
2,4-dipyridin-2-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765788
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650
2-pyridin-4-ylpyridine;dihydrochloride
CID 173206035
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine (CID 122427629) is 2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccncc5)cc4)cc(-c4ccc(-c5ccncc5)cc4)n3)cc2)nc1.
What is the InChIKey of 2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is VLUXHMRHJBZXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N5/c1-2-20-40-34(3-1)30-12-14-33(15-13-30)37-41-35(31-8-4-26(5-9-31)28-16-21-38-22-17-28)25-36(42-37)32-10-6-27(7-11-32)29-18-23-39-24-19-29/h1-25H.
What are the key properties of 2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine?
2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine has a molecular weight of 539.64 g/mol, XLogP of 8.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 122427629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).