2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C114H88F3N13 — CID 160539536

IUPAC2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.Cc1cc(C)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H16F3N3.C23H19N3.2C23H18N2.C22H17N3/c1-15-12-18(14-19(13-15)23(24,25)26)22-28-20(16-8-4-2-5-9-16)27-21(29-22)17-10-6-3-7-11-17;1-16-13-17(2)15-20(14-16)23-25-21(18-9-5-3-6-10-18)24-22(26-23)19-11-7-4-8-12-19;1-17-9-8-14-20(15-17)22-16-21(18-10-4-2-5-11-18)24-23(25-22)19-12-6-3-7-13-19;1-17-9-8-14-20(15-17)23-24-21(18-10-4-2-5-11-18)16-22(25-23)19-12-6-3-7-13-19;1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18/h2-14H,1H3;3-15H,1-2H3;2*2-16H,1H3;2-15H,1H3
InChIKeyQWPHHWGVQADWDL-UHFFFAOYSA-N
MW1697.04 g/mol
LogP28.44
Rot. Bonds15

About 2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 160539536) has the molecular formula C114H88F3N13 and a molecular weight of 1697.04 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID160539536
Molecular FormulaC114H88F3N13
Molecular Weight1697.04 g/mol
Exact Mass1695.72
IUPAC Name2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.Cc1cc(C)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H16F3N3.C23H19N3.2C23H18N2.C22H17N3/c1-15-12-18(14-19(13-15)23(24,25)26)22-28-20(16-8-4-2-5-9-16)27-21(29-22)17-10-6-3-7-11-17;1-16-13-17(2)15-20(14-16)23-25-21(18-9-5-3-6-10-18)24-22(26-23)19-11-7-4-8-12-19;1-17-9-8-14-20(15-17)22-16-21(18-10-4-2-5-11-18)24-23(25-22)19-12-6-3-7-13-19;1-17-9-8-14-20(15-17)23-24-21(18-10-4-2-5-11-18)16-22(25-23)19-12-6-3-7-13-19;1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18/h2-14H,1H3;3-15H,1-2H3;2*2-16H,1H3;2-15H,1H3
InChIKeyQWPHHWGVQADWDL-UHFFFAOYSA-N
XLogP28.44
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001697.04
LogP ≤ 528.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(2,6-Dimethyl-pyridin-4-yl)-phenyl]-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine
CID 57468863
7,18-Bis[2-(trifluoromethyl)phenyl]-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4,6,8,10,13(23),14,16,18,20(24),21,25-tridecaene
CID 139091739
4-(3-Methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 154708155
4-[(Z)-1,2-bis(4-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]ethenyl]-2-[4-(trifluoromethyl)phenyl]quinazoline
CID 168328925
4-[(Z)-1,2-bis(4-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]ethenyl]-2-[4-(trifluoromethyl)phenyl]quinazoline
CID 168328927
2,2'-Dimethyl-6,6'-diphenyl-4,4'-bipyrimidine
CID 14949527
N-[2,6-di(propan-2-yl)phenyl]-1-[2-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-6-methylpyrimidin-4-yl]-1-phenylmethanimine
CID 12091397
2-(4,6-Diphenylpyrimidin-2-yl)-4,6-diphenylpyrimidine
CID 12144432
B3PyMPM
CID 58556437
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-methylpyrimidine
CID 67967165
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-phenylpyrimidine
CID 89441393
2-Phenyl-4,6-bis(3,5-dipyridylphenyl)pyrimidine
CID 101791711

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 160539536) is 2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.Cc1cc(C)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QWPHHWGVQADWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3.C23H19N3.2C23H18N2.C22H17N3/c1-15-12-18(14-19(13-15)23(24,25)26)22-28-20(16-8-4-2-5-9-16)27-21(29-22)17-10-6-3-7-11-17;1-16-13-17(2)15-20(14-16)23-25-21(18-9-5-3-6-10-18)24-22(26-23)19-11-7-4-8-12-19;1-17-9-8-14-20(15-17)22-16-21(18-10-4-2-5-11-18)24-23(25-22)19-12-6-3-7-13-19;1-17-9-8-14-20(15-17)23-24-21(18-10-4-2-5-11-18)16-22(25-23)19-12-6-3-7-13-19;1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18/h2-14H,1H3;3-15H,1-2H3;2*2-16H,1H3;2-15H,1H3.
What are the key properties of 2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1697.04 g/mol, XLogP of 28.44, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(3-methylphenyl)-4,6-diphenylpyrimidine;4-(3-methylphenyl)-2,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[3-methyl-5-(trifluoromethyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 160539536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).