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

C51H31N3O — CID 170211931

IUPAC2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2c(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4c(-c6ccccc6)c6ccccc6cc45)n3)ccc3ccccc23)cc1
InChIInChI=1S/C51H31N3O/c1-3-15-34(16-4-1)46-40-21-11-9-14-33(40)25-28-43(46)51-53-49(38-24-23-32-13-7-8-19-36(32)29-38)52-50(54-51)39-26-27-42-44-30-37-20-10-12-22-41(37)47(35-17-5-2-6-18-35)48(44)55-45(42)31-39/h1-31H
InChIKeyISRAOONCCYAGQC-UHFFFAOYSA-N
MW701.83 g/mol
LogP13.57
Rot. Bonds5

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

2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine (PubChem CID 170211931) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
PubChem CID170211931
Molecular FormulaC51H31N3O
Molecular Weight701.83 g/mol
Exact Mass701.25
IUPAC Name2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2c(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4c(-c6ccccc6)c6ccccc6cc45)n3)ccc3ccccc23)cc1
InChIInChI=1S/C51H31N3O/c1-3-15-34(16-4-1)46-40-21-11-9-14-33(40)25-28-43(46)51-53-49(38-24-23-32-13-7-8-19-36(32)29-38)52-50(54-51)39-26-27-42-44-30-37-20-10-12-22-41(37)47(35-17-5-2-6-18-35)48(44)55-45(42)31-39/h1-31H
InChIKeyISRAOONCCYAGQC-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

4-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-6-yl]-N,N-diphenylaniline
CID 170211894
3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran
CID 134487576
2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 170213203
2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170212090
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 170212992
2,4-dinaphthalen-2-yl-6-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
CID 176755204
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-(4-naphthalen-2-yldibenzofuran-3-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176616921
2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 176616923
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
CID 170213283
2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170213625
5-methyl-4-(6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-yl)-2,6-diphenylpyrimidine
CID 170211834

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine (CID 170211931) is 2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine is c1ccc(-c2c(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4c(-c6ccccc6)c6ccccc6cc45)n3)ccc3ccccc23)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine?
The InChIKey is ISRAOONCCYAGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-3-15-34(16-4-1)46-40-21-11-9-14-33(40)25-28-43(46)51-53-49(38-24-23-32-13-7-8-19-36(32)29-38)52-50(54-51)39-26-27-42-44-30-37-20-10-12-22-41(37)47(35-17-5-2-6-18-35)48(44)55-45(42)31-39/h1-31H.
What are the key properties of 2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-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-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 170211931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).