5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole

C46H27N3O2 — CID 164740346

IUPAC5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole
SMILESc1ccc2cc(-n3nc4ccc(-c5cc(-c6cccc7oc8ccccc8c67)cc(-c6cccc7oc8ccccc8c67)c5)cc4n3)ccc2c1
InChIInChI=1S/C46H27N3O2/c1-2-10-29-26-34(21-19-28(29)9-1)49-47-39-22-20-30(27-40(39)48-49)31-23-32(35-13-7-17-43-45(35)37-11-3-5-15-41(37)50-43)25-33(24-31)36-14-8-18-44-46(36)38-12-4-6-16-42(38)51-44/h1-27H
InChIKeySOYOXONWYXJEPZ-UHFFFAOYSA-N
MW653.74 g/mol
LogP12.37
Rot. Bonds4

About 5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole

5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole (PubChem CID 164740346) has the molecular formula C46H27N3O2 and a molecular weight of 653.74 g/mol. Its IUPAC name is 5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole.

Molecular Properties

Compound Name5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole
PubChem CID164740346
Molecular FormulaC46H27N3O2
Molecular Weight653.74 g/mol
Exact Mass653.21
IUPAC Name5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole
SMILESc1ccc2cc(-n3nc4ccc(-c5cc(-c6cccc7oc8ccccc8c67)cc(-c6cccc7oc8ccccc8c67)c5)cc4n3)ccc2c1
InChIInChI=1S/C46H27N3O2/c1-2-10-29-26-34(21-19-28(29)9-1)49-47-39-22-20-30(27-40(39)48-49)31-23-32(35-13-7-17-43-45(35)37-11-3-5-15-41(37)50-43)25-33(24-31)36-14-8-18-44-46(36)38-12-4-6-16-42(38)51-44/h1-27H
InChIKeySOYOXONWYXJEPZ-UHFFFAOYSA-N
XLogP12.37
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.74
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833
10-dibenzofuran-1-yl-2-phenylnaphtho[1,2-e]benzotriazole
CID 164740384
4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole
CID 164740293
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(2-naphthalen-2-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 171731179
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
2-naphthalen-2-yl-4-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166742173

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole?
The IUPAC name of 5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole (CID 164740346) is 5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole.
What is the SMILES notation for 5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole?
The canonical SMILES for 5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole is c1ccc2cc(-n3nc4ccc(-c5cc(-c6cccc7oc8ccccc8c67)cc(-c6cccc7oc8ccccc8c67)c5)cc4n3)ccc2c1.
What is the InChIKey of 5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole?
The InChIKey is SOYOXONWYXJEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O2/c1-2-10-29-26-34(21-19-28(29)9-1)49-47-39-22-20-30(27-40(39)48-49)31-23-32(35-13-7-17-43-45(35)37-11-3-5-15-41(37)50-43)25-33(24-31)36-14-8-18-44-46(36)38-12-4-6-16-42(38)51-44/h1-27H.
What are the key properties of 5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole?
5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole has a molecular weight of 653.74 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole is sourced from PubChem (CID 164740346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).