5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine

C33H23NO2 — CID 155629231

IUPAC5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine
SMILESCc1cccc(C)c1-c1ccc(-c2cc3nc(-c4cccc5c4oc4ccccc45)ccc3o2)cc1
InChIInChI=1S/C33H23NO2/c1-20-7-5-8-21(2)32(20)23-15-13-22(14-16-23)31-19-28-30(35-31)18-17-27(34-28)26-11-6-10-25-24-9-3-4-12-29(24)36-33(25)26/h3-19H,1-2H3
InChIKeyNQAJJGZHBKSFJK-UHFFFAOYSA-N
MW465.55 g/mol
LogP9.35
Rot. Bonds3

About 5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine

5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine (PubChem CID 155629231) has the molecular formula C33H23NO2 and a molecular weight of 465.55 g/mol. Its IUPAC name is 5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine
PubChem CID155629231
Molecular FormulaC33H23NO2
Molecular Weight465.55 g/mol
Exact Mass465.17
IUPAC Name5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine
SMILESCc1cccc(C)c1-c1ccc(-c2cc3nc(-c4cccc5c4oc4ccccc45)ccc3o2)cc1
InChIInChI=1S/C33H23NO2/c1-20-7-5-8-21(2)32(20)23-15-13-22(14-16-23)31-19-28-30(35-31)18-17-27(34-28)26-11-6-10-25-24-9-3-4-12-29(24)36-33(25)26/h3-19H,1-2H3
InChIKeyNQAJJGZHBKSFJK-UHFFFAOYSA-N
XLogP9.35
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridine
CID 155628537
2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine
CID 155629004
2-methyl-8-(2-phenylfuro[3,2-b]pyridin-5-yl)-[1]benzofuro[2,3-b]pyridine
CID 155629013
5-(3H-dibenzofuran-3-id-4-yl)-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155629230
4-dibenzofuran-4-yl-2-methyl-6-(4-phenylphenyl)pyrimidine
CID 146717257
5-dibenzofuran-4-yl-2-(4-fluorophenyl)furo[2,3-c]pyridine
CID 155626390
5-dibenzofuran-4-yl-2-(4-fluorophenyl)thieno[3,2-b]pyridine
CID 155628677
2-dibenzofuran-4-yl-5-(2-methyl-1-benzofuran-3-yl)pyridine
CID 171576904
4,6-di(dibenzofuran-4-yl)-2-[2-phenyl-6-(4-phenylphenyl)phenyl]pyrimidine
CID 167349519
2-dibenzofuran-4-yl-5-methyl-4-(6-methylnaphthalen-2-yl)pyridine
CID 176779607
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran
CID 130421072

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine?
The IUPAC name of 5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine (CID 155629231) is 5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine.
What is the SMILES notation for 5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine?
The canonical SMILES for 5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine is Cc1cccc(C)c1-c1ccc(-c2cc3nc(-c4cccc5c4oc4ccccc45)ccc3o2)cc1.
What is the InChIKey of 5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine?
The InChIKey is NQAJJGZHBKSFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NO2/c1-20-7-5-8-21(2)32(20)23-15-13-22(14-16-23)31-19-28-30(35-31)18-17-27(34-28)26-11-6-10-25-24-9-3-4-12-29(24)36-33(25)26/h3-19H,1-2H3.
What are the key properties of 5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine?
5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine has a molecular weight of 465.55 g/mol, XLogP of 9.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-4-yl-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine is sourced from PubChem (CID 155629231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).