4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine

C28H20N2 — CID 134179987

IUPAC4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)ncn3)cc2)cc1
InChIInChI=1S/C28H20N2/c1-3-8-21(9-4-1)23-14-16-24(17-15-23)27-19-28(30-20-29-27)26-13-7-12-25(18-26)22-10-5-2-6-11-22/h1-20H
InChIKeyLINVOZFAHMFDFW-UHFFFAOYSA-N
MW384.48 g/mol
LogP7.14
Rot. Bonds4

About 4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine

4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine (PubChem CID 134179987) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
PubChem CID134179987
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC Name4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)ncn3)cc2)cc1
InChIInChI=1S/C28H20N2/c1-3-8-21(9-4-1)23-14-16-24(17-15-23)27-19-28(30-20-29-27)26-13-7-12-25(18-26)22-10-5-2-6-11-22/h1-20H
InChIKeyLINVOZFAHMFDFW-UHFFFAOYSA-N
XLogP7.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine
CID 137389670
4,6-diphenylpyrimidine;iridium(3+)
CID 160559843
4-[3-(6-naphthalen-1-ylpyrimidin-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 169296937
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-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 155006921
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371
2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
CID 59629353
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine (CID 134179987) is 4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)ncn3)cc2)cc1.
What is the InChIKey of 4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine?
The InChIKey is LINVOZFAHMFDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2/c1-3-8-21(9-4-1)23-14-16-24(17-15-23)27-19-28(30-20-29-27)26-13-7-12-25(18-26)22-10-5-2-6-11-22/h1-20H.
What are the key properties of 4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine?
4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine has a molecular weight of 384.48 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 134179987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).