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

C53H33N3O — CID 170942483

IUPAC2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4cccc(-c5nc(-c6cccc(-c7ccc8ccccc8c7)c6)nc(-c6ccc7oc8ccccc8c7c6)n5)c4)cc3c2)cc1
InChIInChI=1S/C53H33N3O/c1-2-10-34(11-3-1)40-23-21-36-22-25-42(32-46(36)31-40)39-15-9-17-44(30-39)52-54-51(43-16-8-14-38(29-43)41-24-20-35-12-4-5-13-37(35)28-41)55-53(56-52)45-26-27-50-48(33-45)47-18-6-7-19-49(47)57-50/h1-33H
InChIKeyFVXUQOQLGITMND-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.08
Rot. Bonds6

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

2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (PubChem CID 170942483) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
PubChem CID170942483
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4cccc(-c5nc(-c6cccc(-c7ccc8ccccc8c7)c6)nc(-c6ccc7oc8ccccc8c7c6)n5)c4)cc3c2)cc1
InChIInChI=1S/C53H33N3O/c1-2-10-34(11-3-1)40-23-21-36-22-25-42(32-46(36)31-40)39-15-9-17-44(30-39)52-54-51(43-16-8-14-38(29-43)41-24-20-35-12-4-5-13-37(35)28-41)55-53(56-52)45-26-27-50-48(33-45)47-18-6-7-19-49(47)57-50/h1-33H
InChIKeyFVXUQOQLGITMND-UHFFFAOYSA-N
XLogP14.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2-dibenzofuran-2-yl-4-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 138729836
2-dibenzofuran-2-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 177119552
2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 168844978
2-naphthalen-2-yl-4-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 155769859
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208962
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616855
2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545376
2-dibenzofuran-2-yl-4-(8-naphthalen-2-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176587677
2-(8-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167402984

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (CID 170942483) is 2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc3ccc(-c4cccc(-c5nc(-c6cccc(-c7ccc8ccccc8c7)c6)nc(-c6ccc7oc8ccccc8c7c6)n5)c4)cc3c2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is FVXUQOQLGITMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-2-10-34(11-3-1)40-23-21-36-22-25-42(32-46(36)31-40)39-15-9-17-44(30-39)52-54-51(43-16-8-14-38(29-43)41-24-20-35-12-4-5-13-37(35)28-41)55-53(56-52)45-26-27-50-48(33-45)47-18-6-7-19-49(47)57-50/h1-33H.
What are the key properties of 2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 727.87 g/mol, XLogP of 14.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 170942483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).