4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine

C89H74N4 — CID 91096152

IUPAC4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine
SMILESCCC(C)c1cccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6cc(C)cc(C)c6)c5)n4)c3)c2)c1.Cc1cccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cc(C)cc(C)c6)c5)nc(-c5ccccc5)n4)c3)c2)c1
InChIInChI=1S/C46H40N2.C43H34N2/c1-5-33(4)35-15-9-16-36(26-35)37-17-10-18-38(27-37)39-19-11-21-41(28-39)45-30-44(34-13-7-6-8-14-34)47-46(48-45)42-22-12-20-40(29-42)43-24-31(2)23-32(3)25-43;1-29-11-7-14-33(22-29)34-15-8-16-35(25-34)36-17-9-19-38(26-36)41-28-42(45-43(44-41)32-12-5-4-6-13-32)39-20-10-18-37(27-39)40-23-30(2)21-31(3)24-40/h6-30,33H,5H2,1-4H3;4-28H,1-3H3
InChIKeyQKRDTEUVSPRHRI-UHFFFAOYSA-N
MW1199.60 g/mol
LogP24.01
Rot. Bonds14

About 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine

4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine (PubChem CID 91096152) has the molecular formula C89H74N4 and a molecular weight of 1199.60 g/mol. Its IUPAC name is 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine
PubChem CID91096152
Molecular FormulaC89H74N4
Molecular Weight1199.60 g/mol
Exact Mass1198.59
IUPAC Name4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine
SMILESCCC(C)c1cccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6cc(C)cc(C)c6)c5)n4)c3)c2)c1.Cc1cccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cc(C)cc(C)c6)c5)nc(-c5ccccc5)n4)c3)c2)c1
InChIInChI=1S/C46H40N2.C43H34N2/c1-5-33(4)35-15-9-16-36(26-35)37-17-10-18-38(27-37)39-19-11-21-41(28-39)45-30-44(34-13-7-6-8-14-34)47-46(48-45)42-22-12-20-40(29-42)43-24-31(2)23-32(3)25-43;1-29-11-7-14-33(22-29)34-15-8-16-35(25-34)36-17-9-19-38(26-36)41-28-42(45-43(44-41)32-12-5-4-6-13-32)39-20-10-18-37(27-39)40-23-30(2)21-31(3)24-40/h6-30,33H,5H2,1-4H3;4-28H,1-3H3
InChIKeyQKRDTEUVSPRHRI-UHFFFAOYSA-N
XLogP24.01
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.60
LogP ≤ 524.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine with MolForge

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Related Compounds

4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine
CID 59552748
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 160924050
4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine
CID 59552862
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
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
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
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-(3,5-dimethylphenyl)-16-[3-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 176758787
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
2-[3-(3-methylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129263613
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine (CID 91096152) is 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine is CCC(C)c1cccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6cc(C)cc(C)c6)c5)n4)c3)c2)c1.Cc1cccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cc(C)cc(C)c6)c5)nc(-c5ccccc5)n4)c3)c2)c1.
What is the InChIKey of 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine?
The InChIKey is QKRDTEUVSPRHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N2.C43H34N2/c1-5-33(4)35-15-9-16-36(26-35)37-17-10-18-38(27-37)39-19-11-21-41(28-39)45-30-44(34-13-7-6-8-14-34)47-46(48-45)42-22-12-20-40(29-42)43-24-31(2)23-32(3)25-43;1-29-11-7-14-33(22-29)34-15-8-16-35(25-34)36-17-9-19-38(26-36)41-28-42(45-43(44-41)32-12-5-4-6-13-32)39-20-10-18-37(27-39)40-23-30(2)21-31(3)24-40/h6-30,33H,5H2,1-4H3;4-28H,1-3H3.
What are the key properties of 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine?
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine has a molecular weight of 1199.60 g/mol, XLogP of 24.01, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 91096152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).