2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine

C37H25N5 — CID 122426506

IUPAC2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccccn5)c4)nc(-c4cccc(-c5ccccn5)c4)n3)cc2)nc1
InChIInChI=1S/C37H25N5/c1-4-20-38-32(13-1)26-16-18-27(19-17-26)35-25-36(30-11-7-9-28(23-30)33-14-2-5-21-39-33)42-37(41-35)31-12-8-10-29(24-31)34-15-3-6-22-40-34/h1-25H
InChIKeyOEKDATTUWABMCC-UHFFFAOYSA-N
MW539.64 g/mol
LogP8.66
Rot. Bonds6

About 2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine

2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine (PubChem CID 122426506) has the molecular formula C37H25N5 and a molecular weight of 539.64 g/mol. Its IUPAC name is 2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
PubChem CID122426506
Molecular FormulaC37H25N5
Molecular Weight539.64 g/mol
Exact Mass539.21
IUPAC Name2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccccn5)c4)nc(-c4cccc(-c5ccccn5)c4)n3)cc2)nc1
InChIInChI=1S/C37H25N5/c1-4-20-38-32(13-1)26-16-18-27(19-17-26)35-25-36(30-11-7-9-28(23-30)33-14-2-5-21-39-33)42-37(41-35)31-12-8-10-29(24-31)34-15-3-6-22-40-34/h1-25H
InChIKeyOEKDATTUWABMCC-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

3-[4-[2,6-bis(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 122427585
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrimidine
CID 58090459
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 137433530
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650
4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130262859
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 167177109
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 58090473
2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116
2,4-diphenyl-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine
CID 167549240
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine (CID 122426506) is 2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccccn5)c4)nc(-c4cccc(-c5ccccn5)c4)n3)cc2)nc1.
What is the InChIKey of 2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is OEKDATTUWABMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N5/c1-4-20-38-32(13-1)26-16-18-27(19-17-26)35-25-36(30-11-7-9-28(23-30)33-14-2-5-21-39-33)42-37(41-35)31-12-8-10-29(24-31)34-15-3-6-22-40-34/h1-25H.
What are the key properties of 2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine?
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-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-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 122426506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).