2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine

C45H27N3O2 — CID 171402344

IUPAC2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)ccc3-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-3-11-28(12-4-1)43-46-44(29-13-5-2-6-14-29)48-45(47-43)38-26-30(31-21-24-41-37(25-31)35-16-8-10-18-40(35)49-41)19-22-33(38)32-20-23-36-34-15-7-9-17-39(34)50-42(36)27-32/h1-27H
InChIKeyOWKMFKFTYMOROL-UHFFFAOYSA-N
MW641.73 g/mol
LogP12.01
Rot. Bonds5

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

2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 171402344) has the molecular formula C45H27N3O2 and a molecular weight of 641.73 g/mol. Its IUPAC name is 2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID171402344
Molecular FormulaC45H27N3O2
Molecular Weight641.73 g/mol
Exact Mass641.21
IUPAC Name2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)ccc3-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-3-11-28(12-4-1)43-46-44(29-13-5-2-6-14-29)48-45(47-43)38-26-30(31-21-24-41-37(25-31)35-16-8-10-18-40(35)49-41)19-22-33(38)32-20-23-36-34-15-7-9-17-39(34)50-42(36)27-32/h1-27H
InChIKeyOWKMFKFTYMOROL-UHFFFAOYSA-N
XLogP12.01
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[8-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193050
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 165057936
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 146407681
2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 166925795
2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496784
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
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
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 171402344) is 2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)ccc3-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OWKMFKFTYMOROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O2/c1-3-11-28(12-4-1)43-46-44(29-13-5-2-6-14-29)48-45(47-43)38-26-30(31-21-24-41-37(25-31)35-16-8-10-18-40(35)49-41)19-22-33(38)32-20-23-36-34-15-7-9-17-39(34)50-42(36)27-32/h1-27H.
What are the key properties of 2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 641.73 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 171402344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).