4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine

C44H36N2 — CID 59552862

IUPAC4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine
SMILESCc1cc(C)cc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6cc(C)cc(C)c6)c5)n4)c3)c2)c1
InChIInChI=1S/C44H36N2/c1-29-19-30(2)22-40(21-29)36-15-8-13-34(25-36)35-14-10-18-39(27-35)44-45-42(33-11-6-5-7-12-33)28-43(46-44)38-17-9-16-37(26-38)41-23-31(3)20-32(4)24-41/h5-28H,1-4H3
InChIKeyVSSNOIYRVWMTGS-UHFFFAOYSA-N
MW592.79 g/mol
LogP11.71
Rot. Bonds6

About 4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine

4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine (PubChem CID 59552862) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine
PubChem CID59552862
Molecular FormulaC44H36N2
Molecular Weight592.79 g/mol
Exact Mass592.29
IUPAC Name4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine
SMILESCc1cc(C)cc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6cc(C)cc(C)c6)c5)n4)c3)c2)c1
InChIInChI=1S/C44H36N2/c1-29-19-30(2)22-40(21-29)36-15-8-13-34(25-36)35-14-10-18-39(27-35)44-45-42(33-11-6-5-7-12-33)28-43(46-44)38-17-9-16-37(26-38)41-23-31(3)20-32(4)24-41/h5-28H,1-4H3
InChIKeyVSSNOIYRVWMTGS-UHFFFAOYSA-N
XLogP11.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
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
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine
CID 59552748
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
4-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163795060
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-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 165105131
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
CID 132529641

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine?
The IUPAC name of 4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine (CID 59552862) is 4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine.
What is the SMILES notation for 4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine?
The canonical SMILES for 4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine is Cc1cc(C)cc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6cc(C)cc(C)c6)c5)n4)c3)c2)c1.
What is the InChIKey of 4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine?
The InChIKey is VSSNOIYRVWMTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2/c1-29-19-30(2)22-40(21-29)36-15-8-13-34(25-36)35-14-10-18-39(27-35)44-45-42(33-11-6-5-7-12-33)28-43(46-44)38-17-9-16-37(26-38)41-23-31(3)20-32(4)24-41/h5-28H,1-4H3.
What are the key properties of 4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine?
4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine has a molecular weight of 592.79 g/mol, XLogP of 11.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine is sourced from PubChem (CID 59552862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).