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

C39H27N3O — CID 167008238

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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