2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol

C47H29N3O2 — CID 170926459

IUPAC2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)c1-c1cccc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C47H29N3O2/c51-41-21-10-20-40(43(41)33-15-8-14-31(27-33)37-18-9-19-39-38-17-6-7-22-42(38)52-44(37)39)47-49-45(30-12-2-1-3-13-30)48-46(50-47)34-25-26-36-32(28-34)24-23-29-11-4-5-16-35(29)36/h1-28,51H
InChIKeyHSBDNUYOXXJBNI-UHFFFAOYSA-N
MW667.77 g/mol
LogP12.12
Rot. Bonds5

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

2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol (PubChem CID 170926459) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol
PubChem CID170926459
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)c1-c1cccc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C47H29N3O2/c51-41-21-10-20-40(43(41)33-15-8-14-31(27-33)37-18-9-19-39-38-17-6-7-22-42(38)52-44(37)39)47-49-45(30-12-2-1-3-13-30)48-46(50-47)34-25-26-36-32(28-34)24-23-29-11-4-5-16-35(29)36/h1-28,51H
InChIKeyHSBDNUYOXXJBNI-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

2-(3-dibenzofuran-2-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 170926697
5-dibenzofuran-4-yl-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol
CID 170926542
2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
CID 170927072
2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 168845004
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166742466
2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
CID 170927286
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine
CID 170131612
2-(4-naphthalen-2-yldibenzofuran-3-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176616921
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441843
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 169278592

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol?
The IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol (CID 170926459) is 2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol is Oc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)c1-c1cccc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol?
The InChIKey is HSBDNUYOXXJBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c51-41-21-10-20-40(43(41)33-15-8-14-31(27-33)37-18-9-19-39-38-17-6-7-22-42(38)52-44(37)39)47-49-45(30-12-2-1-3-13-30)48-46(50-47)34-25-26-36-32(28-34)24-23-29-11-4-5-16-35(29)36/h1-28,51H.
What are the key properties of 2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol?
2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol 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 2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 170926459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).