2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine

C32H22N4 — CID 137433530

IUPAC2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5ncccn5)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C32H22N4/c1-3-9-23(10-4-1)24-15-17-25(18-16-24)29-22-30(36-32(35-29)26-11-5-2-6-12-26)27-13-7-14-28(21-27)31-33-19-8-20-34-31/h1-22H
InChIKeyOJWHGCZCMWLGRR-UHFFFAOYSA-N
MW462.56 g/mol
LogP7.60
Rot. Bonds5

About 2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine

2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine (PubChem CID 137433530) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine
PubChem CID137433530
Molecular FormulaC32H22N4
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5ncccn5)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C32H22N4/c1-3-9-23(10-4-1)24-15-17-25(18-16-24)29-22-30(36-32(35-29)26-11-5-2-6-12-26)27-13-7-14-28(21-27)31-33-19-8-20-34-31/h1-22H
InChIKeyOJWHGCZCMWLGRR-UHFFFAOYSA-N
XLogP7.60
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrimidine
CID 129292675
2-[4-[3-[3-[2-phenyl-6-[3-[3-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]pyrimidine
CID 121311713
2,4-diphenyl-6-[3-(4-pyrimidin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 130184133
4-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163795060
2,4-diphenyl-6-[3-[3-[6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613882
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163428820
2-[3-[3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723
2-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 165105131
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine (CID 137433530) is 2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ncccn5)c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine?
The InChIKey is OJWHGCZCMWLGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4/c1-3-9-23(10-4-1)24-15-17-25(18-16-24)29-22-30(36-32(35-29)26-11-5-2-6-12-26)27-13-7-14-28(21-27)31-33-19-8-20-34-31/h1-22H.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine?
2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine has a molecular weight of 462.56 g/mol, XLogP of 7.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 137433530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).