2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine

C29H19N3O — CID 156553182

IUPAC2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ncnc(-c3oc(-c4ccccc4-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C29H19N3O/c1-3-11-20(12-4-1)22-15-7-8-16-23(22)26-24-17-9-10-18-25(24)27(33-26)29-31-19-30-28(32-29)21-13-5-2-6-14-21/h1-19H
InChIKeyAGVPGDJLUFOZKH-UHFFFAOYSA-N
MW425.49 g/mol
LogP7.29
Rot. Bonds4

About 2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine

2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine (PubChem CID 156553182) has the molecular formula C29H19N3O and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine
PubChem CID156553182
Molecular FormulaC29H19N3O
Molecular Weight425.49 g/mol
Exact Mass425.15
IUPAC Name2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ncnc(-c3oc(-c4ccccc4-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C29H19N3O/c1-3-11-20(12-4-1)22-15-7-8-16-23(22)26-24-17-9-10-18-25(24)27(33-26)29-31-19-30-28(32-29)21-13-5-2-6-14-21/h1-19H
InChIKeyAGVPGDJLUFOZKH-UHFFFAOYSA-N
XLogP7.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran
CID 156553154
2-phenyl-6-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyrazine
CID 156552837
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine
CID 134180001
2-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine
CID 156552730
2-phenyl-5-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine
CID 156552863
1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran
CID 156553333
1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 156553354
2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 151473661
2,4-diphenyl-6-[3-[8-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 164835332
2-phenyl-4-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 118583036
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
2,4-diphenyl-1,3,5-triazine;oxolane
CID 174946165

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine (CID 156553182) is 2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2ncnc(-c3oc(-c4ccccc4-c4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine?
The InChIKey is AGVPGDJLUFOZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O/c1-3-11-20(12-4-1)22-15-7-8-16-23(22)26-24-17-9-10-18-25(24)27(33-26)29-31-19-30-28(32-29)21-13-5-2-6-14-21/h1-19H.
What are the key properties of 2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine?
2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine has a molecular weight of 425.49 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[3-(2-phenylphenyl)-2-benzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 156553182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).