2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine

C33H24N2 — CID 135247397

IUPAC2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine
SMILESCc1cc2ccccc2cc1-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C33H24N2/c1-23-20-28-14-8-9-15-29(28)21-30(23)24-16-18-27(19-17-24)33-34-31(25-10-4-2-5-11-25)22-32(35-33)26-12-6-3-7-13-26/h2-22H,1H3
InChIKeyIHXGMGLWKUQAOB-UHFFFAOYSA-N
MW448.57 g/mol
LogP8.61
Rot. Bonds4

About 2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine

2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine (PubChem CID 135247397) has the molecular formula C33H24N2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine
PubChem CID135247397
Molecular FormulaC33H24N2
Molecular Weight448.57 g/mol
Exact Mass448.19
IUPAC Name2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine
SMILESCc1cc2ccccc2cc1-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C33H24N2/c1-23-20-28-14-8-9-15-29(28)21-30(23)24-16-18-27(19-17-24)33-34-31(25-10-4-2-5-11-25)22-32(35-33)26-12-6-3-7-13-26/h2-22H,1H3
InChIKeyIHXGMGLWKUQAOB-UHFFFAOYSA-N
XLogP8.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 161052183
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402228
2-[4-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402387
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
4-(3-methylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 129128235
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,5-dimethylphenyl]carbazole
CID 126730426
4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(4-methylphenyl)-2-phenylpyrimidine
CID 135243270
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine (CID 135247397) is 2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine is Cc1cc2ccccc2cc1-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine?
The InChIKey is IHXGMGLWKUQAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2/c1-23-20-28-14-8-9-15-29(28)21-30(23)24-16-18-27(19-17-24)33-34-31(25-10-4-2-5-11-25)22-32(35-33)26-12-6-3-7-13-26/h2-22H,1H3.
What are the key properties of 2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine?
2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine has a molecular weight of 448.57 g/mol, XLogP of 8.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylnaphthalen-2-yl)phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 135247397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).