2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine

C31H23N3O2 — CID 176647215

IUPAC2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C31H23N3O2/c1-31(2,3)30-33-28(18-15-16-21-19-9-4-6-13-24(19)35-26(21)17-18)32-29(34-30)23-12-8-11-22-20-10-5-7-14-25(20)36-27(22)23/h4-17H,1-3H3
InChIKeyNNCAIMVVBSJJCP-UHFFFAOYSA-N
MW469.54 g/mol
LogP8.30
Rot. Bonds2

About 2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine

2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine (PubChem CID 176647215) has the molecular formula C31H23N3O2 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine
PubChem CID176647215
Molecular FormulaC31H23N3O2
Molecular Weight469.54 g/mol
Exact Mass469.18
IUPAC Name2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C31H23N3O2/c1-31(2,3)30-33-28(18-15-16-21-19-9-4-6-13-24(19)35-26(21)17-18)32-29(34-30)23-12-8-11-22-20-10-5-7-14-25(20)36-27(22)23/h4-17H,1-3H3
InChIKeyNNCAIMVVBSJJCP-UHFFFAOYSA-N
XLogP8.30
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 176646982
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170186979
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377164
2-dibenzofuran-4-yl-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 177269991
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850281
2-(4-dibenzofuran-3-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167548643
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine (CID 176647215) is 2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine is CC(C)(C)c1nc(-c2ccc3c(c2)oc2ccccc23)nc(-c2cccc3c2oc2ccccc23)n1.
What is the InChIKey of 2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine?
The InChIKey is NNCAIMVVBSJJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3O2/c1-31(2,3)30-33-28(18-15-16-21-19-9-4-6-13-24(19)35-26(21)17-18)32-29(34-30)23-12-8-11-22-20-10-5-7-14-25(20)36-27(22)23/h4-17H,1-3H3.
What are the key properties of 2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine?
2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine has a molecular weight of 469.54 g/mol, XLogP of 8.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine is sourced from PubChem (CID 176647215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).