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

C53H33N3O — CID 171757190

IUPAC2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7ccccc67)c5)n4)c4c(c3)oc3cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C53H33N3O/c1-3-14-34(15-4-1)37-22-11-23-38(28-37)43-31-47(50-46-30-39-19-7-8-20-40(39)32-48(46)57-49(50)33-43)53-55-51(36-17-5-2-6-18-36)54-52(56-53)42-25-12-24-41(29-42)45-27-13-21-35-16-9-10-26-44(35)45/h1-33H
InChIKeyBNJIHIUBNYFEKL-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.08
Rot. Bonds6

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

2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine (PubChem CID 171757190) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
PubChem CID171757190
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7ccccc67)c5)n4)c4c(c3)oc3cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C53H33N3O/c1-3-14-34(15-4-1)37-22-11-23-38(28-37)43-31-47(50-46-30-39-19-7-8-20-40(39)32-48(46)57-49(50)33-43)53-55-51(36-17-5-2-6-18-36)54-52(56-53)42-25-12-24-41(29-42)45-27-13-21-35-16-9-10-26-44(35)45/h1-33H
InChIKeyBNJIHIUBNYFEKL-UHFFFAOYSA-N
XLogP14.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 164951936
2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 171757229
2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165088234
2-[3-[3-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 134299618
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 168731826
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742796
2-naphthalen-2-yl-4-(8-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316506
2,4-diphenyl-6-[1-(6-phenylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
CID 171757130
2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164714650
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165032297
2-(7,9-diphenyldibenzofuran-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7,9-diphenyldibenzofuran-3-yl)-4-phenanthren-9-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(7,9-diphenyldibenzofuran-3-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165016685
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 167402011

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine (CID 171757190) is 2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7ccccc67)c5)n4)c4c(c3)oc3cc5ccccc5cc34)c2)cc1.
What is the InChIKey of 2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine?
The InChIKey is BNJIHIUBNYFEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-3-14-34(15-4-1)37-22-11-23-38(28-37)43-31-47(50-46-30-39-19-7-8-20-40(39)32-48(46)57-49(50)33-43)53-55-51(36-17-5-2-6-18-36)54-52(56-53)42-25-12-24-41(29-42)45-27-13-21-35-16-9-10-26-44(35)45/h1-33H.
What are the key properties of 2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine?
2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine has a molecular weight of 727.87 g/mol, XLogP of 14.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 171757190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).