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

C49H31N3O — CID 171730931

IUPAC2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc6ccccc56)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C49H31N3O/c1-3-13-32(14-4-1)34-18-11-20-37(27-34)47-50-48(52-49(51-47)39-25-26-43-42-23-9-10-24-45(42)53-46(43)31-39)38-21-12-19-36(28-38)44-30-40(33-15-5-2-6-16-33)29-35-17-7-8-22-41(35)44/h1-31H
InChIKeyBTQAGZZZFIFZIX-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

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

2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 171730931) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID171730931
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc6ccccc56)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C49H31N3O/c1-3-13-32(14-4-1)34-18-11-20-37(27-34)47-50-48(52-49(51-47)39-25-26-43-42-23-9-10-24-45(42)53-46(43)31-39)38-21-12-19-36(28-38)44-30-40(33-15-5-2-6-16-33)29-35-17-7-8-22-41(35)44/h1-31H
InChIKeyBTQAGZZZFIFZIX-UHFFFAOYSA-N
XLogP12.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2,4-diphenyl-6-[7-[4-(3-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378711
2-phenyl-4-[7-(2-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378592
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-(3-dibenzofuran-3-yl-5-phenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545443
2-(2-dibenzofuran-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850267
2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 154934269
2-[3-dibenzofuran-3-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442386

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 171730931) is 2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cc(-c6ccccc6)cc6ccccc56)c4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is BTQAGZZZFIFZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-3-13-32(14-4-1)34-18-11-20-37(27-34)47-50-48(52-49(51-47)39-25-26-43-42-23-9-10-24-45(42)53-46(43)31-39)38-21-12-19-36(28-38)44-30-40(33-15-5-2-6-16-33)29-35-17-7-8-22-41(35)44/h1-31H.
What are the key properties of 2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 677.81 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-[3-(3-phenylnaphthalen-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171730931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).