2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine

C55H35N3O2 — CID 167007919

IUPAC2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESC1=CC(c2nc(-c3cccc4oc5ccccc5c34)nc(-c3ccc(-c4ccc(-c5ccccc5)c5ccccc45)c4oc5ccccc5c34)n2)CC=C1c1ccccc1
InChIInChI=1S/C55H35N3O2/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)53-56-54(45-22-13-25-49-50(45)43-20-9-11-23-47(43)59-49)58-55(57-53)46-33-32-42(52-51(46)44-21-10-12-24-48(44)60-52)41-31-30-38(36-16-5-2-6-17-36)39-18-7-8-19-40(39)41/h1-28,30-33,37H,29H2
InChIKeyASRRDFPYAGGZEZ-UHFFFAOYSA-N
MW769.90 g/mol
LogP14.62
Rot. Bonds6

About 2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine

2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 167007919) has the molecular formula C55H35N3O2 and a molecular weight of 769.90 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID167007919
Molecular FormulaC55H35N3O2
Molecular Weight769.90 g/mol
Exact Mass769.27
IUPAC Name2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESC1=CC(c2nc(-c3cccc4oc5ccccc5c34)nc(-c3ccc(-c4ccc(-c5ccccc5)c5ccccc45)c4oc5ccccc5c34)n2)CC=C1c1ccccc1
InChIInChI=1S/C55H35N3O2/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)53-56-54(45-22-13-25-49-50(45)43-20-9-11-23-47(43)59-49)58-55(57-53)46-33-32-42(52-51(46)44-21-10-12-24-48(44)60-52)41-31-30-38(36-16-5-2-6-17-36)39-18-7-8-19-40(39)41/h1-28,30-33,37H,29H2
InChIKeyASRRDFPYAGGZEZ-UHFFFAOYSA-N
XLogP14.62
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.90
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 170424272
2-(2-dibenzofuran-1-ylphenyl)-4-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]-6-(4-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 170222790
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167008068
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
CID 167008238
2-cyclohexa-2,4-dien-1-yl-4-[4-(4-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166742903
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 177112927
2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine
CID 174316211
2-(4-methylcyclohexa-1,5-dien-1-yl)-4-(4-phenylnaphthalen-1-yl)-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167008360
2-(1,2-dihydronaphthalen-2-yl)-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170422642
2-cyclohexa-2,4-dien-1-yl-4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167183078
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742174

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine (CID 167007919) is 2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine is C1=CC(c2nc(-c3cccc4oc5ccccc5c34)nc(-c3ccc(-c4ccc(-c5ccccc5)c5ccccc45)c4oc5ccccc5c34)n2)CC=C1c1ccccc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is ASRRDFPYAGGZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O2/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)53-56-54(45-22-13-25-49-50(45)43-20-9-11-23-47(43)59-49)58-55(57-53)46-33-32-42(52-51(46)44-21-10-12-24-48(44)60-52)41-31-30-38(36-16-5-2-6-17-36)39-18-7-8-19-40(39)41/h1-28,30-33,37H,29H2.
What are the key properties of 2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 769.90 g/mol, XLogP of 14.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(4-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 167007919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).