2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine

C33H23N3 — CID 171052479

IUPAC2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-c3ccccc3)n2)cc1
InChIInChI=1S/C33H23N3/c1-5-14-24(15-6-1)28-22-13-23-29(30(28)25-16-7-2-8-17-25)33-35-31(26-18-9-3-10-19-26)34-32(36-33)27-20-11-4-12-21-27/h1-23H
InChIKeyQGMOVVMKMVOXNT-UHFFFAOYSA-N
MW461.57 g/mol
LogP8.21
Rot. Bonds5

About 2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine

2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 171052479) has the molecular formula C33H23N3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID171052479
Molecular FormulaC33H23N3
Molecular Weight461.57 g/mol
Exact Mass461.19
IUPAC Name2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-c3ccccc3)n2)cc1
InChIInChI=1S/C33H23N3/c1-5-14-24(15-6-1)28-22-13-23-29(30(28)25-16-7-2-8-17-25)33-35-31(26-18-9-3-10-19-26)34-32(36-33)27-20-11-4-12-21-27/h1-23H
InChIKeyQGMOVVMKMVOXNT-UHFFFAOYSA-N
XLogP8.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
CID 171052343
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122423525
2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052585
2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052416
2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297111
2-(2,3-diphenylphenyl)-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297385
2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297196
2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297135
2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297409
4-[4-[4-[4-(2,3-diphenylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297243
2-dibenzofuran-2-yl-4-(2,3-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297262
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]benzonitrile
CID 169297169

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 171052479) is 2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QGMOVVMKMVOXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3/c1-5-14-24(15-6-1)28-22-13-23-29(30(28)25-16-7-2-8-17-25)33-35-31(26-18-9-3-10-19-26)34-32(36-33)27-20-11-4-12-21-27/h1-23H.
What are the key properties of 2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 461.57 g/mol, XLogP of 8.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 171052479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).