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

C61H37N3O2 — CID 167349118

IUPAC2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccc3)c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C61H37N3O2/c1-3-18-38(19-4-1)41-36-52(44-26-10-9-25-42(44)39-20-5-2-6-21-39)56(53(37-41)45-29-15-23-40-22-7-8-24-43(40)45)61-63-59(50-32-16-30-48-46-27-11-13-34-54(46)65-57(48)50)62-60(64-61)51-33-17-31-49-47-28-12-14-35-55(47)66-58(49)51/h1-37H
InChIKeyGPZVOYNPWGOHNQ-UHFFFAOYSA-N
MW843.99 g/mol
LogP16.49
Rot. Bonds7

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

2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 167349118) has the molecular formula C61H37N3O2 and a molecular weight of 843.99 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID167349118
Molecular FormulaC61H37N3O2
Molecular Weight843.99 g/mol
Exact Mass843.29
IUPAC Name2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccc3)c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C61H37N3O2/c1-3-18-38(19-4-1)41-36-52(44-26-10-9-25-42(44)39-20-5-2-6-21-39)56(53(37-41)45-29-15-23-40-22-7-8-24-43(40)45)61-63-59(50-32-16-30-48-46-27-11-13-34-54(46)65-57(48)50)62-60(64-61)51-33-17-31-49-47-28-12-14-35-55(47)66-58(49)51/h1-37H
InChIKeyGPZVOYNPWGOHNQ-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-dibenzofuran-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481309
4,6-di(dibenzofuran-4-yl)-2-[2,4-diphenyl-6-(2-phenylphenyl)phenyl]pyrimidine
CID 167348960
2,4-di(dibenzofuran-4-yl)-6-[2,4-diphenyl-6-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348909
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155481098
2-dibenzofuran-4-yl-4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177079173
2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481357
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155763951
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481175
2-dibenzofuran-4-yl-4-[2-[3-[4-[4-dibenzofuran-4-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylnaphthalen-1-yl]phenyl]naphthalen-1-yl]-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155481155
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine (CID 167349118) is 2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3-c3ccccc3)c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is GPZVOYNPWGOHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3O2/c1-3-18-38(19-4-1)41-36-52(44-26-10-9-25-42(44)39-20-5-2-6-21-39)56(53(37-41)45-29-15-23-40-22-7-8-24-43(40)45)61-63-59(50-32-16-30-48-46-27-11-13-34-54(46)65-57(48)50)62-60(64-61)51-33-17-31-49-47-28-12-14-35-55(47)66-58(49)51/h1-37H.
What are the key properties of 2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine?
2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-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 2,4-di(dibenzofuran-4-yl)-6-[2-naphthalen-1-yl-4-phenyl-6-(2-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 167349118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).