2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine

C49H31N3O2 — CID 170145405

IUPAC2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=Cc2oc3cccc(-c4ccccc4)c3c2C(c2nc(-c3cccc(-c4ccc5ccccc5c4)c3)nc(-c3cccc4c3oc3ccccc34)n2)C1
InChIInChI=1S/C49H31N3O2/c1-2-13-31(14-3-1)36-19-10-24-42-44(36)45-39(21-11-25-43(45)53-42)48-50-47(35-17-8-16-33(29-35)34-27-26-30-12-4-5-15-32(30)28-34)51-49(52-48)40-22-9-20-38-37-18-6-7-23-41(37)54-46(38)40/h1-20,22-29,39H,21H2
InChIKeyDDFFIYWCHXQWBY-UHFFFAOYSA-N
MW693.81 g/mol
LogP12.89
Rot. Bonds5

About 2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 170145405) has the molecular formula C49H31N3O2 and a molecular weight of 693.81 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine
PubChem CID170145405
Molecular FormulaC49H31N3O2
Molecular Weight693.81 g/mol
Exact Mass693.24
IUPAC Name2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=Cc2oc3cccc(-c4ccccc4)c3c2C(c2nc(-c3cccc(-c4ccc5ccccc5c4)c3)nc(-c3cccc4c3oc3ccccc34)n2)C1
InChIInChI=1S/C49H31N3O2/c1-2-13-31(14-3-1)36-19-10-24-42-44(36)45-39(21-11-25-43(45)53-42)48-50-47(35-17-8-16-33(29-35)34-27-26-30-12-4-5-15-32(30)28-34)51-49(52-48)40-22-9-20-38-37-18-6-7-23-41(37)54-46(38)40/h1-20,22-29,39H,21H2
InChIKeyDDFFIYWCHXQWBY-UHFFFAOYSA-N
XLogP12.89
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 170123504
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845157
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2,4-dinaphthalen-2-yl-6-(9-naphtho[2,3-b][1]benzothiol-4-yl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 167029737
2-naphthalen-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214033
2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 168845004
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442199
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[3-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214029

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine (CID 170145405) is 2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine is C1=Cc2oc3cccc(-c4ccccc4)c3c2C(c2nc(-c3cccc(-c4ccc5ccccc5c4)c3)nc(-c3cccc4c3oc3ccccc34)n2)C1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is DDFFIYWCHXQWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O2/c1-2-13-31(14-3-1)36-19-10-24-42-44(36)45-39(21-11-25-43(45)53-42)48-50-47(35-17-8-16-33(29-35)34-27-26-30-12-4-5-15-32(30)28-34)51-49(52-48)40-22-9-20-38-37-18-6-7-23-41(37)54-46(38)40/h1-20,22-29,39H,21H2.
What are the key properties of 2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 693.81 g/mol, XLogP of 12.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 170145405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).