4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine

C34H33N7 — CID 130180907

IUPAC4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine
SMILESCc1cc(C)nc(-c2ccc(C3=NC(C4=CCC(c5nc(C)cc(C)n5)C=C4)=NC(c4ccccc4)N3C)cc2)n1
InChIInChI=1S/C34H33N7/c1-21-19-22(2)36-30(35-21)25-11-13-27(14-12-25)32-39-33(28-9-7-6-8-10-28)41(5)34(40-32)29-17-15-26(16-18-29)31-37-23(3)20-24(4)38-31/h6-11,13-20,25,33H,12H2,1-5H3
InChIKeyCWFQGAMSBCOULO-UHFFFAOYSA-N
MW539.69 g/mol
LogP6.63
Rot. Bonds5

About 4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine

4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine (PubChem CID 130180907) has the molecular formula C34H33N7 and a molecular weight of 539.69 g/mol. Its IUPAC name is 4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine.

Molecular Properties

Compound Name4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine
PubChem CID130180907
Molecular FormulaC34H33N7
Molecular Weight539.69 g/mol
Exact Mass539.28
IUPAC Name4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine
SMILESCc1cc(C)nc(-c2ccc(C3=NC(C4=CCC(c5nc(C)cc(C)n5)C=C4)=NC(c4ccccc4)N3C)cc2)n1
InChIInChI=1S/C34H33N7/c1-21-19-22(2)36-30(35-21)25-11-13-27(14-12-25)32-39-33(28-9-7-6-8-10-28)41(5)34(40-32)29-17-15-26(16-18-29)31-37-23(3)20-24(4)38-31/h6-11,13-20,25,33H,12H2,1-5H3
InChIKeyCWFQGAMSBCOULO-UHFFFAOYSA-N
XLogP6.63
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.69
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139551278
4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine
CID 174298006
4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile
CID 163672224
4-(4-chlorophenyl)-1-methyl-2,6-diphenyl-2H-1,3,5-triazine
CID 170004068
10-methyl-9,22-diphenyl-8,10,22,30-tetrazahexacyclo[21.3.1.12,6.17,11.112,16.117,21]hentriaconta-1(27),2(31),3,5,7(30),8,12,14,16(29),17(28),18,20,23,25-tetradecaene
CID 138601064
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4-(4-phenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 122543049
2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)cyclohepta-1,3,6-trien-1-yl]oxyphenyl]propan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162611127
3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine
CID 130380039
9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole
CID 167072509
2-(2-dibenzofuran-1-ylphenyl)-4-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]-6-(4-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 170222790
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine?
The IUPAC name of 4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine (CID 130180907) is 4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine.
What is the SMILES notation for 4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine?
The canonical SMILES for 4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine is Cc1cc(C)nc(-c2ccc(C3=NC(C4=CCC(c5nc(C)cc(C)n5)C=C4)=NC(c4ccccc4)N3C)cc2)n1.
What is the InChIKey of 4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine?
The InChIKey is CWFQGAMSBCOULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N7/c1-21-19-22(2)36-30(35-21)25-11-13-27(14-12-25)32-39-33(28-9-7-6-8-10-28)41(5)34(40-32)29-17-15-26(16-18-29)31-37-23(3)20-24(4)38-31/h6-11,13-20,25,33H,12H2,1-5H3.
What are the key properties of 4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine?
4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine has a molecular weight of 539.69 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine is sourced from PubChem (CID 130180907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).