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

C55H33N3O — CID 155481384

IUPAC2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4c(-c5cc6ccccc6c6ccccc56)ccc5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c3ccccc23)cc1
InChIInChI=1S/C55H33N3O/c1-2-15-34(16-3-1)38-31-32-47(42-23-10-8-22-41(38)42)53-56-54(48-27-14-26-46-44-25-12-13-28-50(44)59-52(46)48)58-55(57-53)51-39-20-7-4-17-35(39)29-30-45(51)49-33-36-18-5-6-19-37(36)40-21-9-11-24-43(40)49/h1-33H
InChIKeyCDKPLQKROGJZHN-UHFFFAOYSA-N
MW751.89 g/mol
LogP14.72
Rot. Bonds5

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

2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 155481384) has the molecular formula C55H33N3O and a molecular weight of 751.89 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID155481384
Molecular FormulaC55H33N3O
Molecular Weight751.89 g/mol
Exact Mass751.26
IUPAC Name2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4c(-c5cc6ccccc6c6ccccc56)ccc5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c3ccccc23)cc1
InChIInChI=1S/C55H33N3O/c1-2-15-34(16-3-1)38-31-32-47(42-23-10-8-22-41(38)42)53-56-54(48-27-14-26-46-44-25-12-13-28-50(44)59-52(46)48)58-55(57-53)51-39-20-7-4-17-35(39)29-30-45(51)49-33-36-18-5-6-19-37(36)40-21-9-11-24-43(40)49/h1-33H
InChIKeyCDKPLQKROGJZHN-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-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481192
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481154
4,6-di(dibenzofuran-4-yl)-2-(2-phenanthren-9-ylnaphthalen-1-yl)pyrimidine
CID 167349581
2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155481375
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481198
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-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155764013
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481175
2-dibenzofuran-4-yl-4-(2-phenylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481167
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481342
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 155763962

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 155481384) is 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4c(-c5cc6ccccc6c6ccccc56)ccc5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c3ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is CDKPLQKROGJZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O/c1-2-15-34(16-3-1)38-31-32-47(42-23-10-8-22-41(38)42)53-56-54(48-27-14-26-46-44-25-12-13-28-50(44)59-52(46)48)58-55(57-53)51-39-20-7-4-17-35(39)29-30-45(51)49-33-36-18-5-6-19-37(36)40-21-9-11-24-43(40)49/h1-33H.
What are the key properties of 2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-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-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 155481384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).