2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine

C55H33N3O — CID 155763962

IUPAC2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2nc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C55H33N3O/c1-3-19-38-34(14-1)16-12-26-41(38)45-30-31-48(43-23-7-6-22-42(43)45)54-56-53(57-55(58-54)49-28-13-27-47-46-25-9-10-29-51(46)59-52(47)49)37-18-11-17-35(32-37)50-33-36-15-2-4-20-39(36)40-21-5-8-24-44(40)50/h1-33H
InChIKeyYEMSCEGDWIYAKD-UHFFFAOYSA-N
MW751.89 g/mol
LogP14.72
Rot. Bonds5

About 2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine (PubChem CID 155763962) has the molecular formula C55H33N3O and a molecular weight of 751.89 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine
PubChem CID155763962
Molecular FormulaC55H33N3O
Molecular Weight751.89 g/mol
Exact Mass751.26
IUPAC Name2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2nc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C55H33N3O/c1-3-19-38-34(14-1)16-12-26-41(38)45-30-31-48(43-23-7-6-22-42(43)45)54-56-53(57-55(58-54)49-28-13-27-47-46-25-9-10-29-51(46)59-52(47)49)37-18-11-17-35(32-37)50-33-36-15-2-4-20-39(36)40-21-5-8-24-44(40)50/h1-33H
InChIKeyYEMSCEGDWIYAKD-UHFFFAOYSA-N
XLogP14.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 514.72
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-chrysen-2-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine
CID 170131612
2,4-di(dibenzofuran-4-yl)-6-(4-phenanthren-9-yl-2-phenylphenyl)-1,3,5-triazine
CID 163801076
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155763951
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
2-dibenzofuran-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 155763929
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-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
4-(4-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(5-phenanthren-9-ylnaphthalen-1-yl)dibenzofuran;4-(2-phenanthren-9-ylphenyl)dibenzofuran;4-(3-phenanthren-9-ylphenyl)dibenzofuran
CID 162114359
2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(4-phenylnaphthalen-1-yl)phenanthren-9-yl]phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 158381345
2-dibenzofuran-4-yl-4-(4-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-9-yl-1,3,5-triazine
CID 176616896
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481154
2,4-di(dibenzofuran-4-yl)-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278664

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine (CID 155763962) is 2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine is c1cc(-c2nc(-c3ccc(-c4cccc5ccccc45)c4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc(-c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine?
The InChIKey is YEMSCEGDWIYAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O/c1-3-19-38-34(14-1)16-12-26-41(38)45-30-31-48(43-23-7-6-22-42(43)45)54-56-53(57-55(58-54)49-28-13-27-47-46-25-9-10-29-51(46)59-52(47)49)37-18-11-17-35(32-37)50-33-36-15-2-4-20-39(36)40-21-5-8-24-44(40)50/h1-33H.
What are the key properties of 2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine has a molecular weight of 751.89 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155763962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).