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

C29H23N3O — CID 176646982

IUPAC2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc3ccccc3c2)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C29H23N3O/c1-29(2,3)28-31-26(20-16-15-18-9-4-5-10-19(18)17-20)30-27(32-28)23-13-8-12-22-21-11-6-7-14-24(21)33-25(22)23/h4-17H,1-3H3
InChIKeyWXTDOXUXMUPGGC-UHFFFAOYSA-N
MW429.52 g/mol
LogP7.56
Rot. Bonds2

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

2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 176646982) has the molecular formula C29H23N3O and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID176646982
Molecular FormulaC29H23N3O
Molecular Weight429.52 g/mol
Exact Mass429.18
IUPAC Name2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccc3ccccc3c2)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C29H23N3O/c1-29(2,3)28-31-26(20-16-15-18-9-4-5-10-19(18)17-20)30-27(32-28)23-13-8-12-22-21-11-6-7-14-24(21)33-25(22)23/h4-17H,1-3H3
InChIKeyWXTDOXUXMUPGGC-UHFFFAOYSA-N
XLogP7.56
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 176647215
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 153466225
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155481498
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
CID 170927072
2-tert-butyl-4,6-bis(4-phenylphenyl)pyrimidine;2-tert-butyl-4-dibenzofuran-4-yl-6-phenylpyrimidine;2-tert-butyl-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4-naphthalen-1-yl-6-phenylpyrimidine;2-tert-butyl-4-naphthalen-2-yl-6-phenylpyrimidine;2-tert-butyl-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 163750421
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine
CID 170131612

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine (CID 176646982) is 2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine is CC(C)(C)c1nc(-c2ccc3ccccc3c2)nc(-c2cccc3c2oc2ccccc23)n1.
What is the InChIKey of 2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is WXTDOXUXMUPGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O/c1-29(2,3)28-31-26(20-16-15-18-9-4-5-10-19(18)17-20)30-27(32-28)23-13-8-12-22-21-11-6-7-14-24(21)33-25(22)23/h4-17H,1-3H3.
What are the key properties of 2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine?
2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 429.52 g/mol, XLogP of 7.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 176646982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).