2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

C51H33N3O — CID 134199075

IUPAC2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7-c7ccccc7)n6)c5c4c3)c2)cc1
InChIInChI=1S/C51H33N3O/c1-5-16-34(17-6-1)38-28-30-41(36-20-9-3-10-21-36)44(32-38)39-29-31-46-45(33-39)48-43(26-15-27-47(48)55-46)51-53-49(37-22-11-4-12-23-37)52-50(54-51)42-25-14-13-24-40(42)35-18-7-2-8-19-35/h1-33H
InChIKeyODRPRCKNFLULPV-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

About 2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 134199075) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID134199075
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7-c7ccccc7)n6)c5c4c3)c2)cc1
InChIInChI=1S/C51H33N3O/c1-5-16-34(17-6-1)38-28-30-41(36-20-9-3-10-21-36)44(32-38)39-29-31-46-45(33-39)48-43(26-15-27-47(48)55-46)51-53-49(37-22-11-4-12-23-37)52-50(54-51)42-25-14-13-24-40(42)35-18-7-2-8-19-35/h1-33H
InChIKeyODRPRCKNFLULPV-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-phenyl-4-(3-phenylphenyl)-6-[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946253
2,4-diphenyl-6-[8-[4-phenyl-3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199084
2-[8-[4-(2,4-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 160543565
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163478028
2-dibenzofuran-1-yl-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177112627
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (CID 134199075) is 2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7-c7ccccc7)n6)c5c4c3)c2)cc1.
What is the InChIKey of 2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is ODRPRCKNFLULPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-5-16-34(17-6-1)38-28-30-41(36-20-9-3-10-21-36)44(32-38)39-29-31-46-45(33-39)48-43(26-15-27-47(48)55-46)51-53-49(37-22-11-4-12-23-37)52-50(54-51)42-25-14-13-24-40(42)35-18-7-2-8-19-35/h1-33H.
What are the key properties of 2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-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-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 134199075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).