2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

C45H27N3O2 — CID 166742723

IUPAC2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7ccccc7c6c5)n4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C45H27N3O2/c1-3-11-28(12-4-1)29-19-21-30(22-20-29)33-24-25-36(41-35-16-8-10-18-39(35)50-42(33)41)45-47-43(31-13-5-2-6-14-31)46-44(48-45)32-23-26-40-37(27-32)34-15-7-9-17-38(34)49-40/h1-27H
InChIKeyWHPVZDVGZDMBBP-UHFFFAOYSA-N
MW641.73 g/mol
LogP12.01
Rot. Bonds5

About 2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 166742723) has the molecular formula C45H27N3O2 and a molecular weight of 641.73 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID166742723
Molecular FormulaC45H27N3O2
Molecular Weight641.73 g/mol
Exact Mass641.21
IUPAC Name2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7ccccc7c6c5)n4)c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C45H27N3O2/c1-3-11-28(12-4-1)29-19-21-30(22-20-29)33-24-25-36(41-35-16-8-10-18-39(35)50-42(33)41)45-47-43(31-13-5-2-6-14-31)46-44(48-45)32-23-26-40-37(27-32)34-15-7-9-17-38(34)49-40/h1-27H
InChIKeyWHPVZDVGZDMBBP-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-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-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

2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
2-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077854
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155077824
2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 170016984
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(1-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 167614142
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 166742723) is 2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7ccccc7c6c5)n4)c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is WHPVZDVGZDMBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O2/c1-3-11-28(12-4-1)29-19-21-30(22-20-29)33-24-25-36(41-35-16-8-10-18-39(35)50-42(33)41)45-47-43(31-13-5-2-6-14-31)46-44(48-45)32-23-26-40-37(27-32)34-15-7-9-17-38(34)49-40/h1-27H.
What are the key properties of 2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-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-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166742723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).