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

C45H27N3O2 — CID 171402604

IUPAC2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4cccc5oc6ccccc6c45)c3)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-3-12-28(13-4-1)43-46-44(29-14-5-2-6-15-29)48-45(47-43)31-22-24-32(30-23-25-40-37(26-30)33-16-7-9-19-38(33)49-40)36(27-31)34-18-11-21-41-42(34)35-17-8-10-20-39(35)50-41/h1-27H
InChIKeyQVKKRHXWISKHRN-UHFFFAOYSA-N
MW641.73 g/mol
LogP12.01
Rot. Bonds5

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

2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 171402604) has the molecular formula C45H27N3O2 and a molecular weight of 641.73 g/mol. Its IUPAC name is 2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID171402604
Molecular FormulaC45H27N3O2
Molecular Weight641.73 g/mol
Exact Mass641.21
IUPAC Name2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4cccc5oc6ccccc6c45)c3)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-3-12-28(13-4-1)43-46-44(29-14-5-2-6-15-29)48-45(47-43)31-22-24-32(30-23-25-40-37(26-30)33-16-7-9-19-38(33)49-40)36(27-31)34-18-11-21-41-42(34)35-17-8-10-20-39(35)50-41/h1-27H
InChIKeyQVKKRHXWISKHRN-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-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192124
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304573
2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170193016
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
2-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402344
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 171402604) is 2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4cccc5oc6ccccc6c45)c3)n2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QVKKRHXWISKHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O2/c1-3-12-28(13-4-1)43-46-44(29-14-5-2-6-15-29)48-45(47-43)31-22-24-32(30-23-25-40-37(26-30)33-16-7-9-19-38(33)49-40)36(27-31)34-18-11-21-41-42(34)35-17-8-10-20-39(35)50-41/h1-27H.
What are the key properties of 2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-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-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 171402604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).