4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole

C36H21N3O2 — CID 164740293

IUPAC4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole
SMILESc1ccc(-n2nc3cc(-c4cccc5oc6ccccc6c45)cc(-c4cccc5oc6ccccc6c45)c3n2)cc1
InChIInChI=1S/C36H21N3O2/c1-2-10-23(11-3-1)39-37-29-21-22(24-14-8-18-32-34(24)26-12-4-6-16-30(26)40-32)20-28(36(29)38-39)25-15-9-19-33-35(25)27-13-5-7-17-31(27)41-33/h1-21H
InChIKeySLJPLPQZNHJBOU-UHFFFAOYSA-N
MW527.58 g/mol
LogP9.55
Rot. Bonds3

About 4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole

4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole (PubChem CID 164740293) has the molecular formula C36H21N3O2 and a molecular weight of 527.58 g/mol. Its IUPAC name is 4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole.

Molecular Properties

Compound Name4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole
PubChem CID164740293
Molecular FormulaC36H21N3O2
Molecular Weight527.58 g/mol
Exact Mass527.16
IUPAC Name4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole
SMILESc1ccc(-n2nc3cc(-c4cccc5oc6ccccc6c45)cc(-c4cccc5oc6ccccc6c45)c3n2)cc1
InChIInChI=1S/C36H21N3O2/c1-2-10-23(11-3-1)39-37-29-21-22(24-14-8-18-32-34(24)26-12-4-6-16-30(26)40-32)20-28(36(29)38-39)25-15-9-19-33-35(25)27-13-5-7-17-31(27)41-33/h1-21H
InChIKeySLJPLPQZNHJBOU-UHFFFAOYSA-N
XLogP9.55
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.58
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-dibenzofuran-1-yl-6-dibenzofuran-2-yl-2-phenylbenzotriazole;4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole;4,6-di(dibenzofuran-3-yl)-2-phenylbenzotriazole;4,6-di(dibenzofuran-4-yl)-2-phenylbenzotriazole
CID 165041808
4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole
CID 164740281
10-dibenzofuran-1-yl-2-phenylnaphtho[1,2-e]benzotriazole
CID 164740384
5-[3,5-di(dibenzofuran-1-yl)phenyl]-2-naphthalen-2-ylbenzotriazole
CID 164740346
9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole
CID 153075401
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
4-dibenzofuran-1-yl-2-phenylquinoline
CID 146337940
1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065
N-dibenzofuran-3-yl-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e]benzotriazol-10-amine
CID 164740322

Frequently Asked Questions

What is the IUPAC name of 4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole?
The IUPAC name of 4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole (CID 164740293) is 4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole.
What is the SMILES notation for 4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole?
The canonical SMILES for 4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole is c1ccc(-n2nc3cc(-c4cccc5oc6ccccc6c45)cc(-c4cccc5oc6ccccc6c45)c3n2)cc1.
What is the InChIKey of 4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole?
The InChIKey is SLJPLPQZNHJBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3O2/c1-2-10-23(11-3-1)39-37-29-21-22(24-14-8-18-32-34(24)26-12-4-6-16-30(26)40-32)20-28(36(29)38-39)25-15-9-19-33-35(25)27-13-5-7-17-31(27)41-33/h1-21H.
What are the key properties of 4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole?
4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole has a molecular weight of 527.58 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(dibenzofuran-1-yl)-2-phenylbenzotriazole is sourced from PubChem (CID 164740293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).