4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine

C43H29N5 — CID 129292650

IUPAC4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ncccn5)cc4)c3)n2)cc1
InChIInChI=1S/C43H29N5/c1-3-10-32(11-4-1)40-29-41(33-12-5-2-6-13-33)48-43(47-40)38-27-36(30-15-19-34(20-16-30)39-14-7-8-23-44-39)26-37(28-38)31-17-21-35(22-18-31)42-45-24-9-25-46-42/h1-29H
InChIKeyOZAHZAGOJXELGC-UHFFFAOYSA-N
MW615.74 g/mol
LogP10.33
Rot. Bonds7

About 4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine

4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine (PubChem CID 129292650) has the molecular formula C43H29N5 and a molecular weight of 615.74 g/mol. Its IUPAC name is 4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
PubChem CID129292650
Molecular FormulaC43H29N5
Molecular Weight615.74 g/mol
Exact Mass615.24
IUPAC Name4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ncccn5)cc4)c3)n2)cc1
InChIInChI=1S/C43H29N5/c1-3-10-32(11-4-1)40-29-41(33-12-5-2-6-13-33)48-43(47-40)38-27-36(30-15-19-34(20-16-30)39-14-7-8-23-44-39)26-37(28-38)31-17-21-35(22-18-31)42-45-24-9-25-46-42/h1-29H
InChIKeyOZAHZAGOJXELGC-UHFFFAOYSA-N
XLogP10.33
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730905
2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 137433530
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 122543044
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
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
2-(4-pyridin-2-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine
CID 122427629

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine (CID 129292650) is 4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc(-c5ncccn5)cc4)c3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine?
The InChIKey is OZAHZAGOJXELGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5/c1-3-10-32(11-4-1)40-29-41(33-12-5-2-6-13-33)48-43(47-40)38-27-36(30-15-19-34(20-16-30)39-14-7-8-23-44-39)26-37(28-38)31-17-21-35(22-18-31)42-45-24-9-25-46-42/h1-29H.
What are the key properties of 4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine?
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine has a molecular weight of 615.74 g/mol, XLogP of 10.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 129292650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).