2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine

C39H29N3 — CID 118543950

IUPAC2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(C3=NC(c4cccc(-c5ccccc5)c4)N=C(c4cccc(-c5ccccc5)c4)N3)c2)cc1
InChIInChI=1S/C39H29N3/c1-4-13-28(14-5-1)31-19-10-22-34(25-31)37-40-38(35-23-11-20-32(26-35)29-15-6-2-7-16-29)42-39(41-37)36-24-12-21-33(27-36)30-17-8-3-9-18-30/h1-27,37H,(H,40,41,42)
InChIKeyKFFKVQXSIJCHPT-UHFFFAOYSA-N
MW539.68 g/mol
LogP9.18
Rot. Bonds6

About 2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine

2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 118543950) has the molecular formula C39H29N3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID118543950
Molecular FormulaC39H29N3
Molecular Weight539.68 g/mol
Exact Mass539.24
IUPAC Name2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(C3=NC(c4cccc(-c5ccccc5)c4)N=C(c4cccc(-c5ccccc5)c4)N3)c2)cc1
InChIInChI=1S/C39H29N3/c1-4-13-28(14-5-1)31-19-10-22-34(25-31)37-40-38(35-23-11-20-32(26-35)29-15-6-2-7-16-29)42-39(41-37)36-24-12-21-33(27-36)30-17-8-3-9-18-30/h1-27,37H,(H,40,41,42)
InChIKeyKFFKVQXSIJCHPT-UHFFFAOYSA-N
XLogP9.18
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 59.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170227940
2,6-diphenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 164758282
3-phenyl-2-[3-[6-phenyl-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrobenzimidazole
CID 170061747
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710
12-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163536905
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142504632
4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 134299619
4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 144615998
4-[3-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 138655148
2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129197599
2,6-diphenyl-4-[3-[(1E,4E)-5-phenylpenta-1,4-dienyl]phenyl]-1,4-dihydro-1,3,5-triazine
CID 118642062
2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine
CID 166961343

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 118543950) is 2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine is c1ccc(-c2cccc(C3=NC(c4cccc(-c5ccccc5)c4)N=C(c4cccc(-c5ccccc5)c4)N3)c2)cc1.
What is the InChIKey of 2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is KFFKVQXSIJCHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3/c1-4-13-28(14-5-1)31-19-10-22-34(25-31)37-40-38(35-23-11-20-32(26-35)29-15-6-2-7-16-29)42-39(41-37)36-24-12-21-33(27-36)30-17-8-3-9-18-30/h1-27,37H,(H,40,41,42).
What are the key properties of 2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 539.68 g/mol, XLogP of 9.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 118543950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).