4-(3,5-diphenylphenyl)-2-methylpyrimidine

C23H18N2 — CID 129265272

IUPAC4-(3,5-diphenylphenyl)-2-methylpyrimidine
SMILESCc1nccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1
InChIInChI=1S/C23H18N2/c1-17-24-13-12-23(25-17)22-15-20(18-8-4-2-5-9-18)14-21(16-22)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyMQOXOHAVPALXDC-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.79
Rot. Bonds3

About 4-(3,5-diphenylphenyl)-2-methylpyrimidine

4-(3,5-diphenylphenyl)-2-methylpyrimidine (PubChem CID 129265272) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(3,5-diphenylphenyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(3,5-diphenylphenyl)-2-methylpyrimidine
PubChem CID129265272
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name4-(3,5-diphenylphenyl)-2-methylpyrimidine
SMILESCc1nccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1
InChIInChI=1S/C23H18N2/c1-17-24-13-12-23(25-17)22-15-20(18-8-4-2-5-9-18)14-21(16-22)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyMQOXOHAVPALXDC-UHFFFAOYSA-N
XLogP5.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
4-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyrimidine
CID 90361680
2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine
CID 118029072
2-methyl-4-(2-methyl-4-pyridinyl)pyrimidine
CID 71302575
4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 143532720
5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine
CID 115528465
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
CID 146568414
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
2-[3-(2-methylpyrimidin-4-yl)phenyl]isoindole-1,3-dione
CID 168516996
2-(3,5-diphenylphenyl)-4,7-dimethyl-1,10-phenanthroline
CID 175634736
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenylphenyl)-2-methylpyrimidine?
The IUPAC name of 4-(3,5-diphenylphenyl)-2-methylpyrimidine (CID 129265272) is 4-(3,5-diphenylphenyl)-2-methylpyrimidine.
What is the SMILES notation for 4-(3,5-diphenylphenyl)-2-methylpyrimidine?
The canonical SMILES for 4-(3,5-diphenylphenyl)-2-methylpyrimidine is Cc1nccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1.
What is the InChIKey of 4-(3,5-diphenylphenyl)-2-methylpyrimidine?
The InChIKey is MQOXOHAVPALXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-17-24-13-12-23(25-17)22-15-20(18-8-4-2-5-9-18)14-21(16-22)19-10-6-3-7-11-19/h2-16H,1H3.
What are the key properties of 4-(3,5-diphenylphenyl)-2-methylpyrimidine?
4-(3,5-diphenylphenyl)-2-methylpyrimidine has a molecular weight of 322.41 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenylphenyl)-2-methylpyrimidine is sourced from PubChem (CID 129265272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).