2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C51H33N3O — CID 164797357

IUPAC2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c45)n3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-5-14-34(15-6-1)37-24-26-39(27-25-37)50-52-49(38-20-11-4-12-21-38)53-51(54-50)40-28-29-45-47(33-40)55-46-23-13-22-44(48(45)46)43-31-41(35-16-7-2-8-17-35)30-42(32-43)36-18-9-3-10-19-36/h1-33H
InChIKeyZUWLVLJBNLOQJC-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

About 2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 164797357) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID164797357
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c45)n3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-5-14-34(15-6-1)37-24-26-39(27-25-37)50-52-49(38-20-11-4-12-21-38)53-51(54-50)40-28-29-45-47(33-40)55-46-23-13-22-44(48(45)46)43-31-41(35-16-7-2-8-17-35)30-42(32-43)36-18-9-3-10-19-36/h1-33H
InChIKeyZUWLVLJBNLOQJC-UHFFFAOYSA-N
XLogP13.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-diphenylphenyl)-4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797691
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
2,4-bis(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165042991
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797978
2-[9-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797878
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
2-[4-[4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774553
2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163803934
2-(6-phenylnaphthalen-2-yl)-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797808
2-(3,4-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797807

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 164797357) is 2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c45)n3)cc2)cc1.
What is the InChIKey of 2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is ZUWLVLJBNLOQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-5-14-34(15-6-1)37-24-26-39(27-25-37)50-52-49(38-20-11-4-12-21-38)53-51(54-50)40-28-29-45-47(33-40)55-46-23-13-22-44(48(45)46)43-31-41(35-16-7-2-8-17-35)30-42(32-43)36-18-9-3-10-19-36/h1-33H.
What are the key properties of 2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 703.85 g/mol, XLogP of 13.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164797357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).