4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine

C54H48N4 — CID 144588577

IUPAC4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine
SMILESCc1ccc(-c2ccc(-c3nc(C4=CC=CC(C)C4)cc(-c4ccccc4)n3)cc2)cc1.Cc1ccc(C2=NC(c3ccccc3)CC(c3cccc(C)c3)=N2)cc1
InChIInChI=1S/C30H26N2.C24H22N2/c1-21-11-13-23(14-12-21)24-15-17-26(18-16-24)30-31-28(25-8-4-3-5-9-25)20-29(32-30)27-10-6-7-22(2)19-27;1-17-11-13-20(14-12-17)24-25-22(19-8-4-3-5-9-19)16-23(26-24)21-10-6-7-18(2)15-21/h3-18,20,22H,19H2,1-2H3;3-15,22H,16H2,1-2H3
InChIKeyJEKRVTIBPYXEOJ-UHFFFAOYSA-N
MW753.01 g/mol
LogP13.45
Rot. Bonds7

About 4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine

4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine (PubChem CID 144588577) has the molecular formula C54H48N4 and a molecular weight of 753.01 g/mol. Its IUPAC name is 4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine
PubChem CID144588577
Molecular FormulaC54H48N4
Molecular Weight753.01 g/mol
Exact Mass752.39
IUPAC Name4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine
SMILESCc1ccc(-c2ccc(-c3nc(C4=CC=CC(C)C4)cc(-c4ccccc4)n3)cc2)cc1.Cc1ccc(C2=NC(c3ccccc3)CC(c3cccc(C)c3)=N2)cc1
InChIInChI=1S/C30H26N2.C24H22N2/c1-21-11-13-23(14-12-21)24-15-17-26(18-16-24)30-31-28(25-8-4-3-5-9-25)20-29(32-30)27-10-6-7-22(2)19-27;1-17-11-13-20(14-12-17)24-25-22(19-8-4-3-5-9-19)16-23(26-24)21-10-6-7-18(2)15-21/h3-18,20,22H,19H2,1-2H3;3-15,22H,16H2,1-2H3
InChIKeyJEKRVTIBPYXEOJ-UHFFFAOYSA-N
XLogP13.45
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.01
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine with MolForge

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Related Compounds

2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872
4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 167149257
4-methyl-2,6-diphenyl-2,3-dihydropyridine;4-(3-methylphenyl)-2,6-diphenylpyridine;4-(4-methylphenyl)-2,6-diphenylpyridine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(4-methylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 158653283
2-[3-(4-bromophenyl)phenyl]-4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazine
CID 163916839
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
4-[4-[3-[4-(3-methylphenyl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 161052183
2-(4-methylphenyl)-4,6-diphenylpyrimidine;4-(4-methylphenyl)-2,6-diphenylpyrimidine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyridine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyridine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 159145948
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
2-[4-[4-[4-[3-methyl-4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-4H-pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 170200863
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine?
The IUPAC name of 4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine (CID 144588577) is 4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine.
What is the SMILES notation for 4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine?
The canonical SMILES for 4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine is Cc1ccc(-c2ccc(-c3nc(C4=CC=CC(C)C4)cc(-c4ccccc4)n3)cc2)cc1.Cc1ccc(C2=NC(c3ccccc3)CC(c3cccc(C)c3)=N2)cc1.
What is the InChIKey of 4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine?
The InChIKey is JEKRVTIBPYXEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2.C24H22N2/c1-21-11-13-23(14-12-21)24-15-17-26(18-16-24)30-31-28(25-8-4-3-5-9-25)20-29(32-30)27-10-6-7-22(2)19-27;1-17-11-13-20(14-12-17)24-25-22(19-8-4-3-5-9-19)16-23(26-24)21-10-6-7-18(2)15-21/h3-18,20,22H,19H2,1-2H3;3-15,22H,16H2,1-2H3.
What are the key properties of 4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine?
4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine has a molecular weight of 753.01 g/mol, XLogP of 13.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylcyclohexa-1,3-dien-1-yl)-2-[4-(4-methylphenyl)phenyl]-6-phenylpyrimidine;6-(3-methylphenyl)-2-(4-methylphenyl)-4-phenyl-4,5-dihydropyrimidine is sourced from PubChem (CID 144588577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).