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

C45H27N3O2 — CID 171402370

IUPAC2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3cccc4c3oc3ccccc34)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)36-24-22-30(31-23-25-41-38(27-31)33-17-8-9-20-39(33)49-41)26-37(36)35-19-11-18-34-32-16-7-10-21-40(32)50-42(34)35/h1-27H
InChIKeyVCSYDZDXYVCMAH-UHFFFAOYSA-N
MW641.73 g/mol
LogP12.01
Rot. Bonds5

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

2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 171402370) has the molecular formula C45H27N3O2 and a molecular weight of 641.73 g/mol. Its IUPAC name is 2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID171402370
Molecular FormulaC45H27N3O2
Molecular Weight641.73 g/mol
Exact Mass641.21
IUPAC Name2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3cccc4c3oc3ccccc34)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)36-24-22-30(31-23-25-41-38(27-31)33-17-8-9-20-39(33)49-41)26-37(36)35-19-11-18-34-32-16-7-10-21-40(32)50-42(34)35/h1-27H
InChIKeyVCSYDZDXYVCMAH-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-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322
2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 176617087
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155077824
2-[4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942583
2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850281
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034
2-phenyl-4-[6-(4-phenylphenyl)dibenzofuran-2-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797229
2,4-diphenyl-6-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952873
2-dibenzofuran-4-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-[6-[6-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 167183083
2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 171402370) is 2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VCSYDZDXYVCMAH-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)36-24-22-30(31-23-25-41-38(27-31)33-17-8-9-20-39(33)49-41)26-37(36)35-19-11-18-34-32-16-7-10-21-40(32)50-42(34)35/h1-27H.
What are the key properties of 2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-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-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 171402370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).