2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine

C61H37N3O — CID 155481473

IUPAC2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)c7ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)c5ccccc45)cc3c2)cc1
InChIInChI=1S/C61H37N3O/c1-2-13-38(14-3-1)42-28-25-40-27-30-44(37-45(40)36-42)47-32-34-55(51-20-9-7-18-49(47)51)60-62-59(63-61(64-60)56-23-12-22-53-52-21-10-11-24-57(52)65-58(53)56)54-33-31-46(48-17-6-8-19-50(48)54)43-29-26-39-15-4-5-16-41(39)35-43/h1-37H
InChIKeyOOXOZJVDRSWYLN-UHFFFAOYSA-N
MW827.99 g/mol
LogP16.39
Rot. Bonds6

About 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine

2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 155481473) has the molecular formula C61H37N3O and a molecular weight of 827.99 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID155481473
Molecular FormulaC61H37N3O
Molecular Weight827.99 g/mol
Exact Mass827.29
IUPAC Name2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)c7ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)c5ccccc45)cc3c2)cc1
InChIInChI=1S/C61H37N3O/c1-2-13-38(14-3-1)42-28-25-40-27-30-44(37-45(40)36-42)47-32-34-55(51-20-9-7-18-49(47)51)60-62-59(63-61(64-60)56-23-12-22-53-52-21-10-11-24-57(52)65-58(53)56)54-33-31-46(48-17-6-8-19-50(48)54)43-29-26-39-15-4-5-16-41(39)35-43/h1-37H
InChIKeyOOXOZJVDRSWYLN-UHFFFAOYSA-N
XLogP16.39
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.99
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545450
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442199
2-dibenzofuran-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155480735
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-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
2-dibenzofuran-4-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465875
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-dibenzofuran-4-yl-4-[2-(6-naphthalen-2-ylphenanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171732313

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 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) is 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2ccc3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)c7ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)c5ccccc45)cc3c2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is OOXOZJVDRSWYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3O/c1-2-13-38(14-3-1)42-28-25-40-27-30-44(37-45(40)36-42)47-32-34-55(51-20-9-7-18-49(47)51)60-62-59(63-61(64-60)56-23-12-22-53-52-21-10-11-24-57(52)65-58(53)56)54-33-31-46(48-17-6-8-19-50(48)54)43-29-26-39-15-4-5-16-41(39)35-43/h1-37H.
What are the key properties of 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 827.99 g/mol, XLogP of 16.39, 6 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-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 155481473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).