2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine

C55H33N3O — CID 155481198

IUPAC2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5c(-c6cccc7ccccc67)ccc6ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c4ccccc34)ccc2c1
InChIInChI=1S/C55H33N3O/c1-2-16-37-33-38(28-27-34(37)13-1)40-31-32-48(44-21-8-7-20-42(40)44)53-56-54(49-25-12-24-47-45-22-9-10-26-50(45)59-52(47)49)58-55(57-53)51-41-19-6-4-15-36(41)29-30-46(51)43-23-11-17-35-14-3-5-18-39(35)43/h1-33H
InChIKeyDBLHXDVPDWEXJF-UHFFFAOYSA-N
MW751.89 g/mol
LogP14.72
Rot. Bonds5

About 2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 155481198) has the molecular formula C55H33N3O and a molecular weight of 751.89 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID155481198
Molecular FormulaC55H33N3O
Molecular Weight751.89 g/mol
Exact Mass751.26
IUPAC Name2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5c(-c6cccc7ccccc67)ccc6ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c4ccccc34)ccc2c1
InChIInChI=1S/C55H33N3O/c1-2-16-37-33-38(28-27-34(37)13-1)40-31-32-48(44-21-8-7-20-42(40)44)53-56-54(49-25-12-24-47-45-22-9-10-26-50(45)59-52(47)49)58-55(57-53)51-41-19-6-4-15-36(41)29-30-46(51)43-23-11-17-35-14-3-5-18-39(35)43/h1-33H
InChIKeyDBLHXDVPDWEXJF-UHFFFAOYSA-N
XLogP14.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481192
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155481498
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155764013
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481342
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-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenanthren-9-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481154
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155481473
2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylnaphthalen-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155481384
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-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155481375
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 163856870
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine (CID 155481198) is 2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine is c1ccc2cc(-c3ccc(-c4nc(-c5c(-c6cccc7ccccc67)ccc6ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c4ccccc34)ccc2c1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is DBLHXDVPDWEXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O/c1-2-16-37-33-38(28-27-34(37)13-1)40-31-32-48(44-21-8-7-20-42(40)44)53-56-54(49-25-12-24-47-45-22-9-10-26-50(45)59-52(47)49)58-55(57-53)51-41-19-6-4-15-36(41)29-30-46(51)43-23-11-17-35-14-3-5-18-39(35)43/h1-33H.
What are the key properties of 2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 751.89 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 155481198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).