2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine

C41H25N3O — CID 146183362

IUPAC2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
SMILESc1ccc(-c2c3ccccc3c(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5ccccc5o4)n3)c3ccccc23)cc1
InChIInChI=1S/C41H25N3O/c1-2-13-27(14-3-1)37-31-17-7-9-19-33(31)38(34-20-10-8-18-32(34)37)41-43-39(30-23-22-26-12-4-5-15-28(26)24-30)42-40(44-41)36-25-29-16-6-11-21-35(29)45-36/h1-25H
InChIKeyVHXWNNORHGUWNG-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.75
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine

2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine (PubChem CID 146183362) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
PubChem CID146183362
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
SMILESc1ccc(-c2c3ccccc3c(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5ccccc5o4)n3)c3ccccc23)cc1
InChIInChI=1S/C41H25N3O/c1-2-13-27(14-3-1)37-31-17-7-9-19-33(31)38(34-20-10-8-18-32(34)37)41-43-39(30-23-22-26-12-4-5-15-28(26)24-30)42-40(44-41)36-25-29-16-6-11-21-35(29)45-36/h1-25H
InChIKeyVHXWNNORHGUWNG-UHFFFAOYSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 146183565
2-(1-benzofuran-2-yl)-4-dibenzofuran-3-yl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146183628
2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146183589
2-(1-benzofuran-2-yl)-4-dibenzofuran-4-yl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146183632
2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 153301943
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-3-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 146183170
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 58233244
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine?
The IUPAC name of 2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine (CID 146183362) is 2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine is c1ccc(-c2c3ccccc3c(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5ccccc5o4)n3)c3ccccc23)cc1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine?
The InChIKey is VHXWNNORHGUWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-2-13-27(14-3-1)37-31-17-7-9-19-33(31)38(34-20-10-8-18-32(34)37)41-43-39(30-23-22-26-12-4-5-15-28(26)24-30)42-40(44-41)36-25-29-16-6-11-21-35(29)45-36/h1-25H.
What are the key properties of 2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine?
2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine has a molecular weight of 575.67 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4-naphthalen-2-yl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine is sourced from PubChem (CID 146183362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).