4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine

C26H24N2 — CID 155790859

IUPAC4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C26H24N2/c1-26(2,3)24-18-23(27-25(28-24)20-13-8-5-9-14-20)22-16-10-15-21(17-22)19-11-6-4-7-12-19/h4-18H,1-3H3
InChIKeySXQOSYNWGVFQMC-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.78
Rot. Bonds3

About 4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine

4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine (PubChem CID 155790859) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
PubChem CID155790859
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C26H24N2/c1-26(2,3)24-18-23(27-25(28-24)20-13-8-5-9-14-20)22-16-10-15-21(17-22)19-11-6-4-7-12-19/h4-18H,1-3H3
InChIKeySXQOSYNWGVFQMC-UHFFFAOYSA-N
XLogP6.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
4-methyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 121360265
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-[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-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 165105131
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-(3-tert-butylphenyl)-4,6-diphenylpyrimidine;2-(4-tert-butylphenyl)-4,6-diphenylpyrimidine;4-(4-tert-butylphenyl)-2,6-diphenylpyrimidine
CID 160500413
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371
4-(4-tert-butylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 132609554
3-[3-(4,6-ditert-butylpyrimidin-2-yl)phenyl]isoquinoline
CID 118642270

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine (CID 155790859) is 4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine is CC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The InChIKey is SXQOSYNWGVFQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-26(2,3)24-18-23(27-25(28-24)20-13-8-5-9-14-20)22-16-10-15-21(17-22)19-11-6-4-7-12-19/h4-18H,1-3H3.
What are the key properties of 4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine?
4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine has a molecular weight of 364.49 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-phenyl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 155790859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).