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

C45H31N3 — CID 122549117

IUPAC4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc2)cc1
InChIInChI=1S/C45H31N3/c1-4-12-32(13-5-1)33-19-21-34(22-20-33)39-28-40(35-23-25-38(26-24-35)42-18-10-11-27-46-42)30-41(29-39)45-47-43(36-14-6-2-7-15-36)31-44(48-45)37-16-8-3-9-17-37/h1-31H
InChIKeyYFUKCNVZYZQLFB-UHFFFAOYSA-N
MW613.76 g/mol
LogP11.54
Rot. Bonds7

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

4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine (PubChem CID 122549117) has the molecular formula C45H31N3 and a molecular weight of 613.76 g/mol. Its IUPAC name is 4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
PubChem CID122549117
Molecular FormulaC45H31N3
Molecular Weight613.76 g/mol
Exact Mass613.25
IUPAC Name4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc2)cc1
InChIInChI=1S/C45H31N3/c1-4-12-32(13-5-1)33-19-21-34(22-20-33)39-28-40(35-23-25-38(26-24-35)42-18-10-11-27-46-42)30-41(29-39)45-47-43(36-14-6-2-7-15-36)31-44(48-45)37-16-8-3-9-17-37/h1-31H
InChIKeyYFUKCNVZYZQLFB-UHFFFAOYSA-N
XLogP11.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650
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
2,4-bis(3-pyridin-2-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 122426506
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 122543044
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-(3,5-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-(4,6-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
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine (CID 122549117) is 4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine?
The InChIKey is YFUKCNVZYZQLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3/c1-4-12-32(13-5-1)33-19-21-34(22-20-33)39-28-40(35-23-25-38(26-24-35)42-18-10-11-27-46-42)30-41(29-39)45-47-43(36-14-6-2-7-15-36)31-44(48-45)37-16-8-3-9-17-37/h1-31H.
What are the key properties of 4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine?
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine has a molecular weight of 613.76 g/mol, XLogP of 11.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 122549117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).