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

C61H37N3O2 — CID 166743068

IUPAC2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7oc8ccccc8c7c6)n5)c4)c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C61H37N3O2/c1-3-14-38(15-4-1)46-34-47(39-16-5-2-6-17-39)36-48(35-46)50-30-29-49(57-52-23-10-12-25-55(52)66-58(50)57)42-20-13-21-43(33-42)59-62-60(44-27-26-40-18-7-8-19-41(40)32-44)64-61(63-59)45-28-31-56-53(37-45)51-22-9-11-24-54(51)65-56/h1-37H
InChIKeyLFDXGYKGZGGSTD-UHFFFAOYSA-N
MW843.99 g/mol
LogP16.49
Rot. Bonds7

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

2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 166743068) has the molecular formula C61H37N3O2 and a molecular weight of 843.99 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID166743068
Molecular FormulaC61H37N3O2
Molecular Weight843.99 g/mol
Exact Mass843.29
IUPAC Name2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7oc8ccccc8c7c6)n5)c4)c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C61H37N3O2/c1-3-14-38(15-4-1)46-34-47(39-16-5-2-6-17-39)36-48(35-46)50-30-29-49(57-52-23-10-12-25-55(52)66-58(50)57)42-20-13-21-43(33-42)59-62-60(44-27-26-40-18-7-8-19-41(40)32-44)64-61(63-59)45-28-31-56-53(37-45)51-22-9-11-24-54(51)65-56/h1-37H
InChIKeyLFDXGYKGZGGSTD-UHFFFAOYSA-N
XLogP16.49
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.99
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(1-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 167614142
2-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077854
bis(2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);bis(2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159519330
2-dibenzofuran-2-yl-4-[4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164969242
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165088202
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
2-dibenzofuran-2-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 177119552
2-dibenzofuran-2-yl-4-(8-naphthalen-2-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176587677
2-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine (CID 166743068) is 2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7oc8ccccc8c7c6)n5)c4)c4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is LFDXGYKGZGGSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3O2/c1-3-14-38(15-4-1)46-34-47(39-16-5-2-6-17-39)36-48(35-46)50-30-29-49(57-52-23-10-12-25-55(52)66-58(50)57)42-20-13-21-43(33-42)59-62-60(44-27-26-40-18-7-8-19-41(40)32-44)64-61(63-59)45-28-31-56-53(37-45)51-22-9-11-24-54(51)65-56/h1-37H.
What are the key properties of 2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 843.99 g/mol, XLogP of 16.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-[3-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 166743068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).