2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine

C57H33N3O2 — CID 166741750

IUPAC2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc5oc6ccccc6c45)c4ccccc4c3)nc(-c3ccc4ccc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C57H33N3O2/c1-2-14-36(15-3-1)55-58-56(38-28-27-35-26-25-34-13-4-6-17-41(34)47(35)30-38)60-57(59-55)40-29-37-16-5-7-18-42(37)48(32-40)49-31-39(33-52-53(49)46-20-9-11-24-51(46)61-52)43-21-12-22-45-44-19-8-10-23-50(44)62-54(43)45/h1-33H
InChIKeyIJONUTDKHREASQ-UHFFFAOYSA-N
MW791.91 g/mol
LogP15.47
Rot. Bonds5

About 2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine

2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine (PubChem CID 166741750) has the molecular formula C57H33N3O2 and a molecular weight of 791.91 g/mol. Its IUPAC name is 2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
PubChem CID166741750
Molecular FormulaC57H33N3O2
Molecular Weight791.91 g/mol
Exact Mass791.26
IUPAC Name2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc5oc6ccccc6c45)c4ccccc4c3)nc(-c3ccc4ccc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C57H33N3O2/c1-2-14-36(15-3-1)55-58-56(38-28-27-35-26-25-34-13-4-6-17-41(34)47(35)30-38)60-57(59-55)40-29-37-16-5-7-18-42(37)48(32-40)49-31-39(33-52-53(49)46-20-9-11-24-51(46)61-52)43-21-12-22-45-44-19-8-10-23-50(44)62-54(43)45/h1-33H
InChIKeyIJONUTDKHREASQ-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'}

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Related Compounds

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-[4-(3-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166741713
2-(3-dibenzofuran-4-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 170363777
2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 166741746
2-dibenzofuran-4-yl-4-phenanthren-3-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742749
2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 166845207
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378467
2-[4-(3-naphthalen-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177112661
2-chrysen-2-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259613
2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378332
2-phenanthren-3-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742439
2-(8-dibenzofuran-3-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164985113

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine (CID 166741750) is 2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc5oc6ccccc6c45)c4ccccc4c3)nc(-c3ccc4ccc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
The InChIKey is IJONUTDKHREASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3O2/c1-2-14-36(15-3-1)55-58-56(38-28-27-35-26-25-34-13-4-6-17-41(34)47(35)30-38)60-57(59-55)40-29-37-16-5-7-18-42(37)48(32-40)49-31-39(33-52-53(49)46-20-9-11-24-51(46)61-52)43-21-12-22-45-44-19-8-10-23-50(44)62-54(43)45/h1-33H.
What are the key properties of 2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-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-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166741750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).