8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline

C32H23N3 — CID 155603380

IUPAC8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
SMILESCc1nc(-c2ccc(-c3cccc4cccnc34)cc2)cc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C32H23N3/c1-22-34-30(21-31(35-22)28-12-5-11-27(20-28)23-8-3-2-4-9-23)25-17-15-24(16-18-25)29-14-6-10-26-13-7-19-33-32(26)29/h2-21H,1H3
InChIKeyXAMXWLCJDHXGLN-UHFFFAOYSA-N
MW449.56 g/mol
LogP8.00
Rot. Bonds4

About 8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline

8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline (PubChem CID 155603380) has the molecular formula C32H23N3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
PubChem CID155603380
Molecular FormulaC32H23N3
Molecular Weight449.56 g/mol
Exact Mass449.19
IUPAC Name8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
SMILESCc1nc(-c2ccc(-c3cccc4cccnc34)cc2)cc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C32H23N3/c1-22-34-30(21-31(35-22)28-12-5-11-27(20-28)23-8-3-2-4-9-23)25-17-15-24(16-18-25)29-14-6-10-26-13-7-19-33-32(26)29/h2-21H,1H3
InChIKeyXAMXWLCJDHXGLN-UHFFFAOYSA-N
XLogP8.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
4-(3,5-diphenylphenyl)-2-methyl-6-(4-naphthalen-1-ylphenyl)pyrimidine;2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 161366762
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
mercury;8-phenylquinoline;hydrate
CID 174770535
8-[3-[2-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 130465718
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130260993
2-methyl-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 162225760
2-methyl-9-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 159054381
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline
CID 126544539
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
8-[4-[6-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130264267

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline (CID 155603380) is 8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline is Cc1nc(-c2ccc(-c3cccc4cccnc34)cc2)cc(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline?
The InChIKey is XAMXWLCJDHXGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3/c1-22-34-30(21-31(35-22)28-12-5-11-27(20-28)23-8-3-2-4-9-23)25-17-15-24(16-18-25)29-14-6-10-26-13-7-19-33-32(26)29/h2-21H,1H3.
What are the key properties of 8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline?
8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline has a molecular weight of 449.56 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline is sourced from PubChem (CID 155603380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).