2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine

C39H27N3O — CID 167008238

IUPAC2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
SMILESC1=CC(c2ccccc2)CC=C1c1nc(-c2ccccc2)nc(-c2ccc(-c3cccc4oc5ccccc5c34)cc2)n1
InChIInChI=1S/C39H27N3O/c1-3-10-26(11-4-1)27-18-22-30(23-19-27)38-40-37(29-12-5-2-6-13-29)41-39(42-38)31-24-20-28(21-25-31)32-15-9-17-35-36(32)33-14-7-8-16-34(33)43-35/h1-18,20-25,27H,19H2
InChIKeyZBGMULVBHFFAKP-UHFFFAOYSA-N
MW553.67 g/mol
LogP9.90
Rot. Bonds5

About 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine

2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine (PubChem CID 167008238) has the molecular formula C39H27N3O and a molecular weight of 553.67 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
PubChem CID167008238
Molecular FormulaC39H27N3O
Molecular Weight553.67 g/mol
Exact Mass553.22
IUPAC Name2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
SMILESC1=CC(c2ccccc2)CC=C1c1nc(-c2ccccc2)nc(-c2ccc(-c3cccc4oc5ccccc5c34)cc2)n1
InChIInChI=1S/C39H27N3O/c1-3-10-26(11-4-1)27-18-22-30(23-19-27)38-40-37(29-12-5-2-6-13-29)41-39(42-38)31-24-20-28(21-25-31)32-15-9-17-35-36(32)33-14-7-8-16-34(33)43-35/h1-18,20-25,27H,19H2
InChIKeyZBGMULVBHFFAKP-UHFFFAOYSA-N
XLogP9.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167008068
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 177112927
2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine
CID 167113778
14-phenyl-2-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 163999619
2-[4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 163902617
2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167007919
2-dibenzofuran-1-yl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(4-naphthalen-2-yl-3-phenylphenyl)-1,3,5-triazine
CID 170129891
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-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167008360
2-(2-dibenzofuran-1-ylphenyl)-4-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]-6-(4-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 170222790

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine (CID 167008238) is 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine is C1=CC(c2ccccc2)CC=C1c1nc(-c2ccccc2)nc(-c2ccc(-c3cccc4oc5ccccc5c34)cc2)n1.
What is the InChIKey of 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
The InChIKey is ZBGMULVBHFFAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3O/c1-3-10-26(11-4-1)27-18-22-30(23-19-27)38-40-37(29-12-5-2-6-13-29)41-39(42-38)31-24-20-28(21-25-31)32-15-9-17-35-36(32)33-14-7-8-16-34(33)43-35/h1-18,20-25,27H,19H2.
What are the key properties of 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine?
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine has a molecular weight of 553.67 g/mol, XLogP of 9.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 167008238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).