2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine

C27H17N3O — CID 134180001

IUPAC2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ncnc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C27H17N3O/c1-2-7-18(8-3-1)19-13-15-20(16-14-19)26-28-17-29-27(30-26)23-11-6-10-22-21-9-4-5-12-24(21)31-25(22)23/h1-17H
InChIKeyPWTQQKDAJHYDKT-UHFFFAOYSA-N
MW399.45 g/mol
LogP6.77
Rot. Bonds3

About 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 134180001) has the molecular formula C27H17N3O and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine
PubChem CID134180001
Molecular FormulaC27H17N3O
Molecular Weight399.45 g/mol
Exact Mass399.14
IUPAC Name2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ncnc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C27H17N3O/c1-2-7-18(8-3-1)19-13-15-20(16-14-19)26-28-17-29-27(30-26)23-11-6-10-22-21-9-4-5-12-24(21)31-25(22)23/h1-17H
InChIKeyPWTQQKDAJHYDKT-UHFFFAOYSA-N
XLogP6.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942421
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942555
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
2-phenyl-4-[6-(4-phenylphenyl)dibenzofuran-2-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797229
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
2-dibenzofuran-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741551
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine (CID 134180001) is 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3ncnc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is PWTQQKDAJHYDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O/c1-2-7-18(8-3-1)19-13-15-20(16-14-19)26-28-17-29-27(30-26)23-11-6-10-22-21-9-4-5-12-24(21)31-25(22)23/h1-17H.
What are the key properties of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 399.45 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 134180001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).