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

C36H21N3O2 — CID 164740281

IUPAC4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole
SMILESc1ccc(-n2nc3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3n2)cc1
InChIInChI=1S/C36H21N3O2/c1-2-8-25(9-3-1)39-37-31-21-24(22-14-16-34-29(18-22)26-10-4-6-12-32(26)40-34)20-28(36(31)38-39)23-15-17-35-30(19-23)27-11-5-7-13-33(27)41-35/h1-21H
InChIKeyFFRBVYRRIAQHSV-UHFFFAOYSA-N
MW527.58 g/mol
LogP9.55
Rot. Bonds3

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

4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole (PubChem CID 164740281) has the molecular formula C36H21N3O2 and a molecular weight of 527.58 g/mol. Its IUPAC name is 4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole.

Molecular Properties

Compound Name4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole
PubChem CID164740281
Molecular FormulaC36H21N3O2
Molecular Weight527.58 g/mol
Exact Mass527.16
IUPAC Name4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole
SMILESc1ccc(-n2nc3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3n2)cc1
InChIInChI=1S/C36H21N3O2/c1-2-8-25(9-3-1)39-37-31-21-24(22-14-16-34-29(18-22)26-10-4-6-12-32(26)40-34)20-28(36(31)38-39)23-15-17-35-30(19-23)27-11-5-7-13-33(27)41-35/h1-21H
InChIKeyFFRBVYRRIAQHSV-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
10-dibenzofuran-1-yl-2-phenylnaphtho[1,2-e]benzotriazole
CID 164740384
3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 118565404
2-(4-iodo-3,5-diphenylphenyl)dibenzofuran
CID 177108172
N-phenyl-N-[4-(2-phenylnaphtho[1,2-e]benzotriazol-9-yl)phenyl]dibenzofuran-2-amine
CID 170254580
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
2-(3-naphthalen-1-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)benzotriazole
CID 58050341
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
CID 121442011
2-[4-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078928
9-[3-[4,7-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-5-yl]phenyl]-3-dibenzofuran-2-ylcarbazole
CID 126632417

Frequently Asked Questions

What is the IUPAC name of 4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole?
The IUPAC name of 4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole (CID 164740281) is 4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole.
What is the SMILES notation for 4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole?
The canonical SMILES for 4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole is c1ccc(-n2nc3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3n2)cc1.
What is the InChIKey of 4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole?
The InChIKey is FFRBVYRRIAQHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3O2/c1-2-8-25(9-3-1)39-37-31-21-24(22-14-16-34-29(18-22)26-10-4-6-12-32(26)40-34)20-28(36(31)38-39)23-15-17-35-30(19-23)27-11-5-7-13-33(27)41-35/h1-21H.
What are the key properties of 4,6-di(dibenzofuran-2-yl)-2-phenylbenzotriazole?
4,6-di(dibenzofuran-2-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-2-yl)-2-phenylbenzotriazole is sourced from PubChem (CID 164740281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).