2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine

C51H31N3O — CID 176853677

IUPAC2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c5ccccc45)cc4c5ccccc5oc4c3c2)cc1
InChIInChI=1S/C51H31N3O/c1-3-13-32(14-4-1)36-25-26-41-44(31-46-42-21-11-12-22-47(42)55-48(46)45(41)30-36)40-27-28-43(39-20-10-9-19-38(39)40)51-53-49(34-16-5-2-6-17-34)52-50(54-51)37-24-23-33-15-7-8-18-35(33)29-37/h1-31H
InChIKeyGFXBLKQZNXPZOA-UHFFFAOYSA-N
MW701.83 g/mol
LogP13.57
Rot. Bonds5

About 2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 176853677) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID176853677
Molecular FormulaC51H31N3O
Molecular Weight701.83 g/mol
Exact Mass701.25
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c5ccccc45)cc4c5ccccc5oc4c3c2)cc1
InChIInChI=1S/C51H31N3O/c1-3-13-32(14-4-1)36-25-26-41-44(31-46-42-21-11-12-22-47(42)55-48(46)45(41)30-36)40-27-28-43(39-20-10-9-19-38(39)40)51-53-49(34-16-5-2-6-17-34)52-50(54-51)37-24-23-33-15-7-8-18-35(33)29-37/h1-31H
InChIKeyGFXBLKQZNXPZOA-UHFFFAOYSA-N
XLogP13.57
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853796
2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167143642
2-naphthalen-2-yl-4-(2-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine
CID 176853463
2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818440
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853511
2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143677
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176853852
2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817731
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-1,3,5-triazine
CID 167402325
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442199

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine (CID 176853677) is 2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2ccc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c5ccccc45)cc4c5ccccc5oc4c3c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is GFXBLKQZNXPZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-3-13-32(14-4-1)36-25-26-41-44(31-46-42-21-11-12-22-47(42)55-48(46)45(41)30-36)40-27-28-43(39-20-10-9-19-38(39)40)51-53-49(34-16-5-2-6-17-34)52-50(54-51)37-24-23-33-15-7-8-18-35(33)29-37/h1-31H.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine?
2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 701.83 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 176853677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).