2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

C37H25N3O — CID 166961458

IUPAC2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc4c(c3)oc3cccc(-c5cccc6ccccc56)c34)N2)cc1
InChIInChI=1S/C37H25N3O/c1-3-12-25(13-4-1)35-38-36(26-14-5-2-6-15-26)40-37(39-35)27-21-22-31-33(23-27)41-32-20-10-19-30(34(31)32)29-18-9-16-24-11-7-8-17-28(24)29/h1-23,35H,(H,38,39,40)
InChIKeyBXVQBNYELHYTBM-UHFFFAOYSA-N
MW527.63 g/mol
LogP8.90
Rot. Bonds4

About 2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 166961458) has the molecular formula C37H25N3O and a molecular weight of 527.63 g/mol. Its IUPAC name is 2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID166961458
Molecular FormulaC37H25N3O
Molecular Weight527.63 g/mol
Exact Mass527.20
IUPAC Name2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc4c(c3)oc3cccc(-c5cccc6ccccc56)c34)N2)cc1
InChIInChI=1S/C37H25N3O/c1-3-12-25(13-4-1)35-38-36(26-14-5-2-6-15-26)40-37(39-35)27-21-22-31-33(23-27)41-32-20-10-19-30(34(31)32)29-18-9-16-24-11-7-8-17-28(24)29/h1-23,35H,(H,38,39,40)
InChIKeyBXVQBNYELHYTBM-UHFFFAOYSA-N
XLogP8.90
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 58.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156549192
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030218
2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928

Frequently Asked Questions

What is the IUPAC name of 2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 166961458) is 2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)N=C(c3ccc4c(c3)oc3cccc(-c5cccc6ccccc56)c34)N2)cc1.
What is the InChIKey of 2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is BXVQBNYELHYTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3O/c1-3-12-25(13-4-1)35-38-36(26-14-5-2-6-15-26)40-37(39-35)27-21-22-31-33(23-27)41-32-20-10-19-30(34(31)32)29-18-9-16-24-11-7-8-17-28(24)29/h1-23,35H,(H,38,39,40).
What are the key properties of 2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 527.63 g/mol, XLogP of 8.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 166961458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).