2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine

C55H33N3O3 — CID 166743573

IUPAC2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=Cc2c(oc3cc4ccccc4c(-c4cccc5c4oc4cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc8oc9ccccc9c8c7)n6)c45)c23)CC1
InChIInChI=1S/C55H33N3O3/c1-2-12-32(13-3-1)33-24-26-34(27-25-33)53-56-54(36-28-29-46-43(30-36)38-16-6-8-21-44(38)59-46)58-55(57-53)42-20-11-23-47-49(42)40-18-10-19-41(52(40)61-47)50-37-15-5-4-14-35(37)31-48-51(50)39-17-7-9-22-45(39)60-48/h1-8,10-21,23-31H,9,22H2
InChIKeySSPDPPGVJWZOMD-UHFFFAOYSA-N
MW783.89 g/mol
LogP14.86
Rot. Bonds5

About 2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 166743573) has the molecular formula C55H33N3O3 and a molecular weight of 783.89 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID166743573
Molecular FormulaC55H33N3O3
Molecular Weight783.89 g/mol
Exact Mass783.25
IUPAC Name2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=Cc2c(oc3cc4ccccc4c(-c4cccc5c4oc4cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc8oc9ccccc9c8c7)n6)c45)c23)CC1
InChIInChI=1S/C55H33N3O3/c1-2-12-32(13-3-1)33-24-26-34(27-25-33)53-56-54(36-28-29-46-43(30-36)38-16-6-8-21-44(38)59-46)58-55(57-53)42-20-11-23-47-49(42)40-18-10-19-41(52(40)61-47)50-37-15-5-4-14-35(37)31-48-51(50)39-17-7-9-22-45(39)60-48/h1-8,10-21,23-31H,9,22H2
InChIKeySSPDPPGVJWZOMD-UHFFFAOYSA-N
XLogP14.86
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.89
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017751
2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407661
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743004
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 167008000
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine
CID 170009814
2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170424026
2-dibenzofuran-1-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
CID 170211813
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171
2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174327481

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 166743573) is 2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is C1=Cc2c(oc3cc4ccccc4c(-c4cccc5c4oc4cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc8oc9ccccc9c8c7)n6)c45)c23)CC1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is SSPDPPGVJWZOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O3/c1-2-12-32(13-3-1)33-24-26-34(27-25-33)53-56-54(36-28-29-46-43(30-36)38-16-6-8-21-44(38)59-46)58-55(57-53)42-20-11-23-47-49(42)40-18-10-19-41(52(40)61-47)50-37-15-5-4-14-35(37)31-48-51(50)39-17-7-9-22-45(39)60-48/h1-8,10-21,23-31H,9,22H2.
What are the key properties of 2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 783.89 g/mol, XLogP of 14.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166743573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).