2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine

C45H27N3O — CID 142491356

IUPAC2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccccc5c4c3-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C45H27N3O/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)37-25-26-40-42(36-21-11-12-22-39(36)49-40)41(37)30-23-24-35-33-19-8-7-17-31(33)32-18-9-10-20-34(32)38(35)27-30/h1-27H
InChIKeyOGLFZNAWSSSRJM-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

About 2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine

2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine (PubChem CID 142491356) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
PubChem CID142491356
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccccc5c4c3-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C45H27N3O/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)37-25-26-40-42(36-21-11-12-22-39(36)49-40)41(37)30-23-24-35-33-19-8-7-17-31(33)32-18-9-10-20-34(32)38(35)27-30/h1-27H
InChIKeyOGLFZNAWSSSRJM-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-[1-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 163653922
2-[3-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163603081
2-naphthalen-2-yl-4-(1-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176616808
2-naphthalen-2-yl-4-(1-phenanthren-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 176616811
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 139304336
2-dibenzofuran-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198755
2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491098
2-[8-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167167260
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
2-[1-(4-phenanthren-9-ylphenyl)dibenzofuran-2-yl]-4,6-diphenylpyrimidine
CID 142491327
2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952974
2-[10-(3-dibenzofuran-1-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925668

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine (CID 142491356) is 2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccccc5c4c3-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine?
The InChIKey is OGLFZNAWSSSRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)37-25-26-40-42(36-21-11-12-22-39(36)49-40)41(37)30-23-24-35-33-19-8-7-17-31(33)32-18-9-10-20-34(32)38(35)27-30/h1-27H.
What are the key properties of 2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine?
2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine has a molecular weight of 625.73 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine is sourced from PubChem (CID 142491356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).