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

C61H37N3O — CID 155764013

IUPAC2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4ccc(-c5nc(-c6c(-c7ccc8ccccc8c7)ccc7ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)c5ccccc45)cc3c2)cc1
InChIInChI=1S/C61H37N3O/c1-2-13-38(14-3-1)43-28-25-40-27-29-44(37-46(40)36-43)47-33-34-54(51-20-9-8-19-50(47)51)59-62-60(55-23-12-22-53-52-21-10-11-24-56(52)65-58(53)55)64-61(63-59)57-48-18-7-6-16-41(48)31-32-49(57)45-30-26-39-15-4-5-17-42(39)35-45/h1-37H
InChIKeyLVFHISXHBWJDNI-UHFFFAOYSA-N
MW827.99 g/mol
LogP16.39
Rot. Bonds6

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

2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 155764013) has the molecular formula C61H37N3O and a molecular weight of 827.99 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(2-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-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID155764013
Molecular FormulaC61H37N3O
Molecular Weight827.99 g/mol
Exact Mass827.29
IUPAC Name2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4ccc(-c5nc(-c6c(-c7ccc8ccccc8c7)ccc7ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)c5ccccc45)cc3c2)cc1
InChIInChI=1S/C61H37N3O/c1-2-13-38(14-3-1)43-28-25-40-27-29-44(37-46(40)36-43)47-33-34-54(51-20-9-8-19-50(47)51)59-62-60(55-23-12-22-53-52-21-10-11-24-56(52)65-58(53)55)64-61(63-59)57-48-18-7-6-16-41(48)31-32-49(57)45-30-26-39-15-4-5-17-42(39)35-45/h1-37H
InChIKeyLVFHISXHBWJDNI-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-(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-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481342
2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155481375
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481198
2-dibenzofuran-4-yl-4-(2-phenylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481167
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-phenyl-6-[4-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442227
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-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155481498
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-(2-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481175
2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845157

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(2-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-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine (CID 155764013) is 2-dibenzofuran-4-yl-4-(2-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-(2-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-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2ccc3ccc(-c4ccc(-c5nc(-c6c(-c7ccc8ccccc8c7)ccc7ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)c5ccccc45)cc3c2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is LVFHISXHBWJDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3O/c1-2-13-38(14-3-1)43-28-25-40-27-29-44(37-46(40)36-43)47-33-34-54(51-20-9-8-19-50(47)51)59-62-60(55-23-12-22-53-52-21-10-11-24-56(52)65-58(53)55)64-61(63-59)57-48-18-7-6-16-41(48)31-32-49(57)45-30-26-39-15-4-5-17-42(39)35-45/h1-37H.
What are the key properties of 2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(2-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-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 155764013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).