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

C48H30N6O — CID 139442533

IUPAC2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5oc6ccccc6c45)c3)n2)cc1
InChIInChI=1S/C48H30N6O/c1-5-16-31(17-6-1)43-49-44(32-18-7-2-8-19-32)52-47(51-43)36-28-35(38-25-15-27-41-42(38)39-24-13-14-26-40(39)55-41)29-37(30-36)48-53-45(33-20-9-3-10-21-33)50-46(54-48)34-22-11-4-12-23-34/h1-30H
InChIKeySMKSSJCTKHXLJH-UHFFFAOYSA-N
MW706.81 g/mol
LogP11.62
Rot. Bonds7

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

2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 139442533) has the molecular formula C48H30N6O and a molecular weight of 706.81 g/mol. Its IUPAC name is 2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID139442533
Molecular FormulaC48H30N6O
Molecular Weight706.81 g/mol
Exact Mass706.25
IUPAC Name2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5oc6ccccc6c45)c3)n2)cc1
InChIInChI=1S/C48H30N6O/c1-5-16-31(17-6-1)43-49-44(32-18-7-2-8-19-32)52-47(51-43)36-28-35(38-25-15-27-41-42(38)39-24-13-14-26-40(39)55-41)29-37(30-36)48-53-45(33-20-9-3-10-21-33)50-46(54-48)34-22-11-4-12-23-34/h1-30H
InChIKeySMKSSJCTKHXLJH-UHFFFAOYSA-N
XLogP11.62
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.81
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3,5-di(dibenzofuran-1-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942695
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130263357
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447
2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731767
2-[10-(3-dibenzofuran-1-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925668
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797357
2-[4-(3-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166741713
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365

Frequently Asked Questions

What is the IUPAC name of 2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 139442533) is 2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5oc6ccccc6c45)c3)n2)cc1.
What is the InChIKey of 2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SMKSSJCTKHXLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6O/c1-5-16-31(17-6-1)43-49-44(32-18-7-2-8-19-32)52-47(51-43)36-28-35(38-25-15-27-41-42(38)39-24-13-14-26-40(39)55-41)29-37(30-36)48-53-45(33-20-9-3-10-21-33)50-46(54-48)34-22-11-4-12-23-34/h1-30H.
What are the key properties of 2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 706.81 g/mol, XLogP of 11.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 139442533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).