5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol

C47H29N3O2 — CID 170927173

IUPAC5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol
SMILESOc1cc(-c2cccc3oc4ccccc4c23)cc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4ccccc34)n2)c1-c1ccccc1
InChIInChI=1S/C47H29N3O2/c51-40-28-32(34-23-13-25-42-44(34)37-22-11-12-24-41(37)52-42)27-39(43(40)29-14-3-1-4-15-29)47-49-45(30-16-5-2-6-17-30)48-46(50-47)38-26-31-18-7-8-19-33(31)35-20-9-10-21-36(35)38/h1-28,51H
InChIKeyBHTWMICCYFRUKW-UHFFFAOYSA-N
MW667.77 g/mol
LogP12.12
Rot. Bonds5

About 5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol

5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol (PubChem CID 170927173) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol.

Molecular Properties

Compound Name5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol
PubChem CID170927173
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol
SMILESOc1cc(-c2cccc3oc4ccccc4c23)cc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4ccccc34)n2)c1-c1ccccc1
InChIInChI=1S/C47H29N3O2/c51-40-28-32(34-23-13-25-42-44(34)37-22-11-12-24-41(37)52-42)27-39(43(40)29-14-3-1-4-15-29)47-49-45(30-16-5-2-6-17-30)48-46(50-47)38-26-31-18-7-8-19-33(31)35-20-9-10-21-36(35)38/h1-28,51H
InChIKeyBHTWMICCYFRUKW-UHFFFAOYSA-N
XLogP12.12
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 512.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-dibenzofuran-2-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol
CID 170927359
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 139304153
2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741639
5-dibenzofuran-4-yl-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol
CID 170926542
3-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)-5-phenanthren-9-yl-2-phenylphenol
CID 170926594
2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730911
2-(6-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 166743635
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 165025944
2-dibenzofuran-4-yl-4-(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 167181780
2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166739192
2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
CID 170927286

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol?
The IUPAC name of 5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol (CID 170927173) is 5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol.
What is the SMILES notation for 5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol?
The canonical SMILES for 5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol is Oc1cc(-c2cccc3oc4ccccc4c23)cc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4ccccc34)n2)c1-c1ccccc1.
What is the InChIKey of 5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol?
The InChIKey is BHTWMICCYFRUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c51-40-28-32(34-23-13-25-42-44(34)37-22-11-12-24-41(37)52-42)27-39(43(40)29-14-3-1-4-15-29)47-49-45(30-16-5-2-6-17-30)48-46(50-47)38-26-31-18-7-8-19-33(31)35-20-9-10-21-36(35)38/h1-28,51H.
What are the key properties of 5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol?
5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol has a molecular weight of 667.77 g/mol, XLogP of 12.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-1-yl-3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol is sourced from PubChem (CID 170927173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).