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

C44H28N4O — CID 171761124

IUPAC2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c3oc3c(-c5ccc(-c6cccnc6)cc5)cccc34)n2)cc1
InChIInChI=1S/C44H28N4O/c1-3-12-31(13-4-1)42-46-43(32-14-5-2-6-15-32)48-44(47-42)39-18-8-7-17-35(39)36-20-10-22-38-37-21-9-19-34(40(37)49-41(36)38)30-25-23-29(24-26-30)33-16-11-27-45-28-33/h1-28H
InChIKeyHGRURTIRNVTTPS-UHFFFAOYSA-N
MW628.74 g/mol
LogP11.17
Rot. Bonds6

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

2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine (PubChem CID 171761124) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
PubChem CID171761124
Molecular FormulaC44H28N4O
Molecular Weight628.74 g/mol
Exact Mass628.23
IUPAC Name2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c3oc3c(-c5ccc(-c6cccnc6)cc5)cccc34)n2)cc1
InChIInChI=1S/C44H28N4O/c1-3-12-31(13-4-1)42-46-43(32-14-5-2-6-15-32)48-44(47-42)39-18-8-7-17-35(39)36-20-10-22-38-37-21-9-19-34(40(37)49-41(36)38)30-25-23-29(24-26-30)33-16-11-27-45-28-33/h1-28H
InChIKeyHGRURTIRNVTTPS-UHFFFAOYSA-N
XLogP11.17
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
CID 171761270
2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 165168395
2-[2-[6-(3,5-dipyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171761227
3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine
CID 171760954
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168483
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176817618
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
2-[3,5-di(anthracen-1-yl)phenyl]-4-dibenzofuran-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466365
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine (CID 171761124) is 2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c3oc3c(-c5ccc(-c6cccnc6)cc5)cccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine?
The InChIKey is HGRURTIRNVTTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c1-3-12-31(13-4-1)42-46-43(32-14-5-2-6-15-32)48-44(47-42)39-18-8-7-17-35(39)36-20-10-22-38-37-21-9-19-34(40(37)49-41(36)38)30-25-23-29(24-26-30)33-16-11-27-45-28-33/h1-28H.
What are the key properties of 2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine has a molecular weight of 628.74 g/mol, XLogP of 11.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[2-[6-(4-pyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 171761124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).