2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine

C33H23N3O4 — CID 153431877

IUPAC2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine
SMILESCN1C=CN(c2cc(Oc3cc(Oc4ccccn4)cc4oc5ccccc5c34)cc3c2oc2ccccc23)C1
InChIInChI=1S/C33H23N3O4/c1-35-14-15-36(20-35)26-17-21(16-25-23-8-2-4-10-27(23)40-33(25)26)37-29-18-22(38-31-12-6-7-13-34-31)19-30-32(29)24-9-3-5-11-28(24)39-30/h2-19H,20H2,1H3
InChIKeySQDHGZUXCOOXCL-UHFFFAOYSA-N
MW525.56 g/mol
LogP8.65
Rot. Bonds5

About 2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine

2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine (PubChem CID 153431877) has the molecular formula C33H23N3O4 and a molecular weight of 525.56 g/mol. Its IUPAC name is 2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine.

Molecular Properties

Compound Name2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine
PubChem CID153431877
Molecular FormulaC33H23N3O4
Molecular Weight525.56 g/mol
Exact Mass525.17
IUPAC Name2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine
SMILESCN1C=CN(c2cc(Oc3cc(Oc4ccccn4)cc4oc5ccccc5c34)cc3c2oc2ccccc23)C1
InChIInChI=1S/C33H23N3O4/c1-35-14-15-36(20-35)26-17-21(16-25-23-8-2-4-10-27(23)40-33(25)26)37-29-18-22(38-31-12-6-7-13-34-31)19-30-32(29)24-9-3-5-11-28(24)39-30/h2-19H,20H2,1H3
InChIKeySQDHGZUXCOOXCL-UHFFFAOYSA-N
XLogP8.65
TPSA64.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.56
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine
CID 153431950
2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine
CID 139493678
2-[4-(2-pyridin-2-yloxydibenzofuran-4-yl)oxydibenzofuran-2-yl]oxypyridine
CID 153431810
3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine
CID 153431847
2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine
CID 139493757
2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole
CID 155650282
N-[3-[2-(1-methylpyrazol-3-yl)dibenzofuran-4-yl]oxydibenzofuran-1-yl]-N-phenylpyridin-2-amine
CID 153431680
2-(8-bromodibenzofuran-2-yl)oxypyridine
CID 139515976
3-[[6-(3-methyl-2H-imidazol-1-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]oxy]-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazole
CID 155650303
N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine
CID 153431988
2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(2-pyridin-2-yloxy-3H-dibenzofuran-3-id-4-yl)-3H-dibenzofuran-3-id-4-amine;platinum
CID 153431967
2-[10-[3-(3-methyl-2H-imidazol-1-yl)phenyl]phenoxaphosphinin-2-yl]oxypyridine
CID 153495046

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine?
The IUPAC name of 2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine (CID 153431877) is 2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine.
What is the SMILES notation for 2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine?
The canonical SMILES for 2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine is CN1C=CN(c2cc(Oc3cc(Oc4ccccn4)cc4oc5ccccc5c34)cc3c2oc2ccccc23)C1.
What is the InChIKey of 2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine?
The InChIKey is SQDHGZUXCOOXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O4/c1-35-14-15-36(20-35)26-17-21(16-25-23-8-2-4-10-27(23)40-33(25)26)37-29-18-22(38-31-12-6-7-13-34-31)19-30-32(29)24-9-3-5-11-28(24)39-30/h2-19H,20H2,1H3.
What are the key properties of 2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine?
2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine has a molecular weight of 525.56 g/mol, XLogP of 8.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine is sourced from PubChem (CID 153431877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).