2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine

C45H25N3O2S — CID 129223961

IUPAC2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine
SMILESc1ccc2c(c1)Oc1cccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c1S2
InChIInChI=1S/C45H25N3O2S/c1-2-12-30-28(10-1)29-11-3-4-13-31(29)35-24-26(20-22-32(30)35)43-46-44(27-21-23-38-36(25-27)33-14-5-6-16-37(33)49-38)48-45(47-43)34-15-9-18-40-42(34)51-41-19-8-7-17-39(41)50-40/h1-25H
InChIKeyYYOLSLLRRZTURB-UHFFFAOYSA-N
MW671.78 g/mol
LogP12.49
Rot. Bonds3

About 2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine

2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine (PubChem CID 129223961) has the molecular formula C45H25N3O2S and a molecular weight of 671.78 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine
PubChem CID129223961
Molecular FormulaC45H25N3O2S
Molecular Weight671.78 g/mol
Exact Mass671.17
IUPAC Name2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine
SMILESc1ccc2c(c1)Oc1cccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c1S2
InChIInChI=1S/C45H25N3O2S/c1-2-12-30-28(10-1)29-11-3-4-13-31(29)35-24-26(20-22-32(30)35)43-46-44(27-21-23-38-36(25-27)33-14-5-6-16-37(33)49-38)48-45(47-43)34-15-9-18-40-42(34)51-41-19-8-7-17-39(41)50-40/h1-25H
InChIKeyYYOLSLLRRZTURB-UHFFFAOYSA-N
XLogP12.49
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.78
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-dibenzofuran-4-yl-4-thianthren-1-yl-6-triphenylen-2-yl-1,3,5-triazine
CID 129223965
2-dibenzofuran-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952322
2-[10-(3-dibenzofuran-2-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925660
2,4-di(chrysen-3-yl)-6-dibenzofuran-2-yl-1,3,5-triazine
CID 158404878
2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 156522941
2-(10-dibenzofuran-2-yltriphenylen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166925794
2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134199357
2-dibenzofuran-3-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 140946348
2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 146407681
2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 163895901
2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 165382224
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 170210787

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine (CID 129223961) is 2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine is c1ccc2c(c1)Oc1cccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)c1S2.
What is the InChIKey of 2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine?
The InChIKey is YYOLSLLRRZTURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N3O2S/c1-2-12-30-28(10-1)29-11-3-4-13-31(29)35-24-26(20-22-32(30)35)43-46-44(27-21-23-38-36(25-27)33-14-5-6-16-37(33)49-38)48-45(47-43)34-15-9-18-40-42(34)51-41-19-8-7-17-39(41)50-40/h1-25H.
What are the key properties of 2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine has a molecular weight of 671.78 g/mol, XLogP of 12.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine is sourced from PubChem (CID 129223961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).