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

C37H23N3O — CID 166742174

IUPAC2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C37H23N3O/c1-3-13-25(14-4-1)35-38-36(26-15-5-2-6-16-26)40-37(39-35)31-23-22-29(28-20-11-17-24-12-7-8-18-27(24)28)34-33(31)30-19-9-10-21-32(30)41-34/h1-23H
InChIKeyAYBRPBRHPYXFDJ-UHFFFAOYSA-N
MW525.61 g/mol
LogP9.59
Rot. Bonds4

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

2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 166742174) has the molecular formula C37H23N3O and a molecular weight of 525.61 g/mol. Its IUPAC name is 2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID166742174
Molecular FormulaC37H23N3O
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C37H23N3O/c1-3-13-25(14-4-1)35-38-36(26-15-5-2-6-16-26)40-37(39-35)31-23-22-29(28-20-11-17-24-12-7-8-18-27(24)28)34-33(31)30-19-9-10-21-32(30)41-34/h1-23H
InChIKeyAYBRPBRHPYXFDJ-UHFFFAOYSA-N
XLogP9.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741910
2-(4-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166739181
2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 176616813
2-naphthalen-1-yl-4-(4-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742716
2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159529301
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166743398
2-(9-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742190
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
2-(4-naphtho[2,1-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 158469759
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2-(4-naphthalen-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 166742423

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (CID 166742174) is 2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is AYBRPBRHPYXFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O/c1-3-13-25(14-4-1)35-38-36(26-15-5-2-6-16-26)40-37(39-35)31-23-22-29(28-20-11-17-24-12-7-8-18-27(24)28)34-33(31)30-19-9-10-21-32(30)41-34/h1-23H.
What are the key properties of 2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 525.61 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 166742174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).