2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

C57H33N3O2 — CID 174307223

IUPAC2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-c3cccc4oc5c6ccccc6c(-c6cccc7c6ccc6ccccc67)cc5c34)n2)cc1
InChIInChI=1S/C57H33N3O2/c1-3-14-34(15-4-1)39-22-12-26-49-52(39)45-31-29-37(32-51(45)61-49)56-58-55(36-17-5-2-6-18-36)59-57(60-56)46-25-13-27-50-53(46)48-33-47(42-20-9-10-21-44(42)54(48)62-50)41-24-11-23-40-38-19-8-7-16-35(38)28-30-43(40)41/h1-33H
InChIKeyFYJRXWFTVXOFRE-UHFFFAOYSA-N
MW791.91 g/mol
LogP15.47
Rot. Bonds5

About 2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 174307223) has the molecular formula C57H33N3O2 and a molecular weight of 791.91 g/mol. Its IUPAC name is 2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
PubChem CID174307223
Molecular FormulaC57H33N3O2
Molecular Weight791.91 g/mol
Exact Mass791.26
IUPAC Name2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-c3cccc4oc5c6ccccc6c(-c6cccc7c6ccc6ccccc67)cc5c34)n2)cc1
InChIInChI=1S/C57H33N3O2/c1-3-14-34(15-4-1)39-22-12-26-49-52(39)45-31-29-37(32-51(45)61-49)56-58-55(36-17-5-2-6-18-36)59-57(60-56)46-25-13-27-50-53(46)48-33-47(42-20-9-10-21-44(42)54(48)62-50)41-24-11-23-40-38-19-8-7-16-35(38)28-30-43(40)41/h1-33H
InChIKeyFYJRXWFTVXOFRE-UHFFFAOYSA-N
XLogP15.47
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.91
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-chrysen-3-yl-4-phenyl-6-[7-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 176817888
2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176818468
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176844444
2-phenanthren-9-yl-4-phenyl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176818333
2-(7-phenanthren-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741783
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818745
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-chrysen-3-yl-4-[7-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-[6-[4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]chrysen-1-yl]phenyl]-1,3,5-triazine
CID 170016012
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-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818458
2-dibenzofuran-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166952539
2-naphthalen-1-yl-4-naphthalen-2-yl-6-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176818688

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (CID 174307223) is 2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-c3cccc4oc5c6ccccc6c(-c6cccc7c6ccc6ccccc67)cc5c34)n2)cc1.
What is the InChIKey of 2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The InChIKey is FYJRXWFTVXOFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3O2/c1-3-14-34(15-4-1)39-22-12-26-49-52(39)45-31-29-37(32-51(45)61-49)56-58-55(36-17-5-2-6-18-36)59-57(60-56)46-25-13-27-50-53(46)48-33-47(42-20-9-10-21-44(42)54(48)62-50)41-24-11-23-40-38-19-8-7-16-35(38)28-30-43(40)41/h1-33H.
What are the key properties of 2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine has a molecular weight of 791.91 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenanthren-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 174307223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).