2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine

C40H25N3O — CID 149488817

IUPAC2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine
SMILESc1ccc(-c2ccc3cc(-c4ccc5c(c4)oc4cc(-n6c(-c7ccccc7)nc7cccnc76)ccc45)ccc3c2)cc1
InChIInChI=1S/C40H25N3O/c1-3-8-26(9-4-1)28-13-14-30-23-31(16-15-29(30)22-28)32-17-19-34-35-20-18-33(25-38(35)44-37(34)24-32)43-39(27-10-5-2-6-11-27)42-36-12-7-21-41-40(36)43/h1-25H
InChIKeyZERUVGJXAPGWHE-UHFFFAOYSA-N
MW563.66 g/mol
LogP10.47
Rot. Bonds4

About 2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine

2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine (PubChem CID 149488817) has the molecular formula C40H25N3O and a molecular weight of 563.66 g/mol. Its IUPAC name is 2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine
PubChem CID149488817
Molecular FormulaC40H25N3O
Molecular Weight563.66 g/mol
Exact Mass563.20
IUPAC Name2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine
SMILESc1ccc(-c2ccc3cc(-c4ccc5c(c4)oc4cc(-n6c(-c7ccccc7)nc7cccnc76)ccc45)ccc3c2)cc1
InChIInChI=1S/C40H25N3O/c1-3-8-26(9-4-1)28-13-14-30-23-31(16-15-29(30)22-28)32-17-19-34-35-20-18-33(25-38(35)44-37(34)24-32)43-39(27-10-5-2-6-11-27)42-36-12-7-21-41-40(36)43/h1-25H
InChIKeyZERUVGJXAPGWHE-UHFFFAOYSA-N
XLogP10.47
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276097
9-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276091
3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 23391355
2-(7-phenyldibenzofuran-2-yl)-1-(3-phenylphenyl)benzimidazole
CID 157379685
9-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 156577807
9-[7-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276047
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213966
2,4-diphenyl-6-[6-[7-(3-phenylphenyl)dibenzofuran-3-yl]naphthalen-2-yl]-1,3,5-triazine
CID 171596932
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170213969
3-(2,6-dimethylphenyl)-2-[4-[4-[4-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-(2-methylphenyl)-2-[3-[3-[4-[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[3-[4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine
CID 160859064
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335707

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine (CID 149488817) is 2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine is c1ccc(-c2ccc3cc(-c4ccc5c(c4)oc4cc(-n6c(-c7ccccc7)nc7cccnc76)ccc45)ccc3c2)cc1.
What is the InChIKey of 2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is ZERUVGJXAPGWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3O/c1-3-8-26(9-4-1)28-13-14-30-23-31(16-15-29(30)22-28)32-17-19-34-35-20-18-33(25-38(35)44-37(34)24-32)43-39(27-10-5-2-6-11-27)42-36-12-7-21-41-40(36)43/h1-25H.
What are the key properties of 2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine?
2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine has a molecular weight of 563.66 g/mol, XLogP of 10.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[7-(6-phenylnaphthalen-2-yl)dibenzofuran-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 149488817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).