2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine

C51H33N3O — CID 166952902

IUPAC2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)oc4cc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)ccc45)cc3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-4-10-34(11-5-1)36-16-18-38(19-17-36)39-20-22-40(23-21-39)43-28-30-45-46-31-29-44(33-48(46)55-47(45)32-43)51-53-49(41-14-8-3-9-15-41)52-50(54-51)42-26-24-37(25-27-42)35-12-6-2-7-13-35/h1-33H
InChIKeyGCDAWLLFCGPOHL-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

About 2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 166952902) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID166952902
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)oc4cc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)ccc45)cc3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-4-10-34(11-5-1)36-16-18-38(19-17-36)39-20-22-40(23-21-39)43-28-30-45-46-31-29-44(33-48(46)55-47(45)32-43)51-53-49(41-14-8-3-9-15-41)52-50(54-51)42-26-24-37(25-27-42)35-12-6-2-7-13-35/h1-33H
InChIKeyGCDAWLLFCGPOHL-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

2,4-diphenyl-6-[4-(7-triphenylen-2-yldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 148954728
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213966
2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine
CID 171596932

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine (CID 166952902) is 2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)oc4cc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)ccc45)cc3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is GCDAWLLFCGPOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-4-10-34(11-5-1)36-16-18-38(19-17-36)39-20-22-40(23-21-39)43-28-30-45-46-31-29-44(33-48(46)55-47(45)32-43)51-53-49(41-14-8-3-9-15-41)52-50(54-51)42-26-24-37(25-27-42)35-12-6-2-7-13-35/h1-33H.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-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-phenyl-4-(4-phenylphenyl)-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 166952902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).