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

C51H31N3O2 — CID 170192137

IUPAC2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc(-c6ccccc6-c6cccc7c6oc6ccccc67)cc45)n3)cc2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)33-22-24-35(25-23-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)37-26-28-41-44-30-36(27-29-46(44)55-47(41)31-37)38-16-7-8-17-39(38)42-19-11-20-43-40-18-9-10-21-45(40)56-48(42)43/h1-31H
InChIKeyFBLJYLGLPPEPTG-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

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

2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170192137) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID170192137
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc(-c6ccccc6-c6cccc7c6oc6ccccc67)cc45)n3)cc2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)33-22-24-35(25-23-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)37-26-28-41-44-30-36(27-29-46(44)55-47(41)31-37)38-16-7-8-17-39(38)42-19-11-20-43-40-18-9-10-21-45(40)56-48(42)43/h1-31H
InChIKeyFBLJYLGLPPEPTG-UHFFFAOYSA-N
XLogP13.67
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[6-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192190
2-[7-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176773450
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850281
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377164
2-[4-[8-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193050
2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192124
2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 163821422
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
2-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 170192137) is 2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc(-c6ccccc6-c6cccc7c6oc6ccccc67)cc45)n3)cc2)cc1.
What is the InChIKey of 2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is FBLJYLGLPPEPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)33-22-24-35(25-23-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)37-26-28-41-44-30-36(27-29-46(44)55-47(41)31-37)38-16-7-8-17-39(38)42-19-11-20-43-40-18-9-10-21-45(40)56-48(42)43/h1-31H.
What are the key properties of 2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 717.83 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170192137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).