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

C33H21N3O — CID 118507613

IUPAC2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C33H21N3O/c1-3-12-22(13-4-1)31-34-32(23-14-5-2-6-15-23)36-33(35-31)26-17-8-7-16-24(26)25-19-11-21-29-30(25)27-18-9-10-20-28(27)37-29/h1-21H
InChIKeyBKJDTDOXJPZNTH-UHFFFAOYSA-N
MW475.55 g/mol
LogP8.44
Rot. Bonds4

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

2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 118507613) has the molecular formula C33H21N3O and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID118507613
Molecular FormulaC33H21N3O
Molecular Weight475.55 g/mol
Exact Mass475.17
IUPAC Name2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C33H21N3O/c1-3-12-22(13-4-1)31-34-32(23-14-5-2-6-15-23)36-33(35-31)26-17-8-7-16-24(26)25-19-11-21-29-30(25)27-18-9-10-20-28(27)37-29/h1-21H
InChIKeyBKJDTDOXJPZNTH-UHFFFAOYSA-N
XLogP8.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
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
2-dibenzofuran-1-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine
CID 155049995
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447
2-(5-dibenzofuran-1-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-yl)-4,6-diphenyl-1,3,5-triazine
CID 169053222
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942695
2-dibenzofuran-1-yl-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177112627
2-(2-dibenzofuran-1-ylphenyl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 167556194

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 118507613) is 2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is BKJDTDOXJPZNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3O/c1-3-12-22(13-4-1)31-34-32(23-14-5-2-6-15-23)36-33(35-31)26-17-8-7-16-24(26)25-19-11-21-29-30(25)27-18-9-10-20-28(27)37-29/h1-21H.
What are the key properties of 2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 475.55 g/mol, XLogP of 8.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 118507613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).