2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine

C53H33N3O — CID 176632723

IUPAC2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc4cc(-c5ccc6oc7ccccc7c6c5)ccc4c3)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C53H33N3O/c1-3-13-34(14-4-1)41-17-7-10-21-46(41)52-54-51(55-53(56-52)47-29-28-42(35-15-5-2-6-16-35)43-18-8-9-19-44(43)47)40-26-25-36-31-37(23-24-38(36)32-40)39-27-30-50-48(33-39)45-20-11-12-22-49(45)57-50/h1-33H
InChIKeyJASCQCLBSCEZMG-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.08
Rot. Bonds6

About 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine

2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 176632723) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID176632723
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc4cc(-c5ccc6oc7ccccc7c6c5)ccc4c3)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C53H33N3O/c1-3-13-34(14-4-1)41-17-7-10-21-46(41)52-54-51(55-53(56-52)47-29-28-42(35-15-5-2-6-16-35)43-18-8-9-19-44(43)47)40-26-25-36-31-37(23-24-38(36)32-40)39-27-30-50-48(33-39)45-20-11-12-22-49(45)57-50/h1-33H
InChIKeyJASCQCLBSCEZMG-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-[4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942583
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
2-(2-dibenzofuran-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545420
2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 176632674
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165088202
2-(8-phenyldibenzofuran-2-yl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 171414823
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(1-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 167614142
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 170210787
2-naphthalen-1-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163981200
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545376
2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402344

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine (CID 176632723) is 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3ccc4cc(-c5ccc6oc7ccccc7c6c5)ccc4c3)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is JASCQCLBSCEZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-3-13-34(14-4-1)41-17-7-10-21-46(41)52-54-51(55-53(56-52)47-29-28-42(35-15-5-2-6-16-35)43-18-8-9-19-44(43)47)40-26-25-36-31-37(23-24-38(36)32-40)39-27-30-50-48(33-39)45-20-11-12-22-49(45)57-50/h1-33H.
What are the key properties of 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-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-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176632723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).