2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine

C51H31N3O — CID 174208532

IUPAC2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc5cc6c(cc5c4)oc4ccccc46)n3)cc3ccccc23)cc1
InChIInChI=1S/C51H31N3O/c1-2-11-33(12-3-1)45-30-40(27-37-14-5-7-17-43(37)45)51-53-49(35-23-21-34(22-24-35)42-19-10-15-32-13-4-6-16-41(32)42)52-50(54-51)38-26-25-36-29-46-44-18-8-9-20-47(44)55-48(46)31-39(36)28-38/h1-31H
InChIKeyLIGDOOOZCHRUSP-UHFFFAOYSA-N
MW701.83 g/mol
LogP13.57
Rot. Bonds5

About 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine

2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 174208532) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID174208532
Molecular FormulaC51H31N3O
Molecular Weight701.83 g/mol
Exact Mass701.25
IUPAC Name2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc5cc6c(cc5c4)oc4ccccc46)n3)cc3ccccc23)cc1
InChIInChI=1S/C51H31N3O/c1-2-11-33(12-3-1)45-30-40(27-37-14-5-7-17-43(37)45)51-53-49(35-23-21-34(22-24-35)42-19-10-15-32-13-4-6-16-41(32)42)52-50(54-51)38-26-25-36-29-46-44-18-8-9-20-47(44)55-48(46)31-39(36)28-38/h1-31H
InChIKeyLIGDOOOZCHRUSP-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-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208954
2-naphtho[3,2-b][1]benzofuran-8-yl-4-phenanthren-3-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208468
2-(9-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316221
2-naphthalen-2-yl-4-(9-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 174316163
2,4-dinaphthalen-1-yl-6-naphtho[3,2-b][1]benzofuran-8-yl-1,3,5-triazine
CID 155474090
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 163416881
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 174198592
2-naphthalen-2-yl-4-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 155769859
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
CID 154614265
2-dibenzofuran-3-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244681
2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167
2-naphthalen-2-yl-4-(8-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316506

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 174208532) is 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc5cc6c(cc5c4)oc4ccccc46)n3)cc3ccccc23)cc1.
What is the InChIKey of 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is LIGDOOOZCHRUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-2-11-33(12-3-1)45-30-40(27-37-14-5-7-17-43(37)45)51-53-49(35-23-21-34(22-24-35)42-19-10-15-32-13-4-6-16-41(32)42)52-50(54-51)38-26-25-36-29-46-44-18-8-9-20-47(44)55-48(46)31-39(36)28-38/h1-31H.
What are the key properties of 2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-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-(4-naphthalen-1-ylphenyl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 174208532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).