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

C59H35N3O — CID 155481192

IUPAC2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5c(-c6cc7ccccc7c7ccccc67)ccc6ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c4ccccc34)ccc2c1
InChIInChI=1S/C59H35N3O/c1-2-16-38-34-40(29-28-36(38)14-1)42-32-33-51(46-22-9-7-21-45(42)46)57-60-58(52-26-13-25-50-48-24-11-12-27-54(48)63-56(50)52)62-59(61-57)55-43-19-6-3-15-37(43)30-31-49(55)53-35-39-17-4-5-18-41(39)44-20-8-10-23-47(44)53/h1-35H
InChIKeyDKSCFBKKXXYDDR-UHFFFAOYSA-N
MW801.95 g/mol
LogP15.87
Rot. Bonds5

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

2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 155481192) has the molecular formula C59H35N3O and a molecular weight of 801.95 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID155481192
Molecular FormulaC59H35N3O
Molecular Weight801.95 g/mol
Exact Mass801.28
IUPAC Name2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5c(-c6cc7ccccc7c7ccccc67)ccc6ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c4ccccc34)ccc2c1
InChIInChI=1S/C59H35N3O/c1-2-16-38-34-40(29-28-36(38)14-1)42-32-33-51(46-22-9-7-21-45(42)46)57-60-58(52-26-13-25-50-48-24-11-12-27-54(48)63-56(50)52)62-59(61-57)55-43-19-6-3-15-37(43)30-31-49(55)53-35-39-17-4-5-18-41(39)44-20-8-10-23-47(44)53/h1-35H
InChIKeyDKSCFBKKXXYDDR-UHFFFAOYSA-N
XLogP15.87
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.95
LogP ≤ 515.87
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-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155481384
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-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481154
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-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481342
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155481498
4,6-di(dibenzofuran-4-yl)-2-(2-phenanthren-9-ylnaphthalen-1-yl)pyrimidine
CID 167349581
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155481473
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine
CID 170131612
2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155481375
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163856870
2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545450

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine (CID 155481192) is 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine is c1ccc2cc(-c3ccc(-c4nc(-c5c(-c6cc7ccccc7c7ccccc67)ccc6ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c4ccccc34)ccc2c1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is DKSCFBKKXXYDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3O/c1-2-16-38-34-40(29-28-36(38)14-1)42-32-33-51(46-22-9-7-21-45(42)46)57-60-58(52-26-13-25-50-48-24-11-12-27-54(48)63-56(50)52)62-59(61-57)55-43-19-6-3-15-37(43)30-31-49(55)53-35-39-17-4-5-18-41(39)44-20-8-10-23-47(44)53/h1-35H.
What are the key properties of 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 801.95 g/mol, XLogP of 15.87, 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-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 155481192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).