2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine

C39H28N4O3 — CID 139493678

IUPAC2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine
SMILESCN1C=CN(c2cc(N(c3ccccc3)c3cc(Oc4ccccn4)cc4c3oc3ccccc34)c3oc4ccccc4c3c2)C1
InChIInChI=1S/C39H28N4O3/c1-41-19-20-42(25-41)27-21-31-29-13-5-7-15-35(29)45-38(31)33(22-27)43(26-11-3-2-4-12-26)34-24-28(44-37-17-9-10-18-40-37)23-32-30-14-6-8-16-36(30)46-39(32)34/h2-24H,25H2,1H3
InChIKeyGBPAZHWLOLCNJW-UHFFFAOYSA-N
MW600.68 g/mol
LogP10.32
Rot. Bonds6

About 2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine

2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine (PubChem CID 139493678) has the molecular formula C39H28N4O3 and a molecular weight of 600.68 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine
PubChem CID139493678
Molecular FormulaC39H28N4O3
Molecular Weight600.68 g/mol
Exact Mass600.22
IUPAC Name2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine
SMILESCN1C=CN(c2cc(N(c3ccccc3)c3cc(Oc4ccccn4)cc4c3oc3ccccc34)c3oc4ccccc4c3c2)C1
InChIInChI=1S/C39H28N4O3/c1-41-19-20-42(25-41)27-21-31-29-13-5-7-15-35(29)45-38(31)33(22-27)43(26-11-3-2-4-12-26)34-24-28(44-37-17-9-10-18-40-37)23-32-30-14-6-8-16-36(30)46-39(32)34/h2-24H,25H2,1H3
InChIKeyGBPAZHWLOLCNJW-UHFFFAOYSA-N
XLogP10.32
TPSA58.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine
CID 153431847
2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine
CID 153431877
N-[2-[4-(1-methylpyrazol-3-yl)dibenzofuran-2-yl]oxydibenzofuran-4-yl]-N-phenylpyridin-2-amine
CID 153431706
2-[4-(2-pyridin-2-yloxydibenzofuran-4-yl)oxydibenzofuran-2-yl]oxypyridine
CID 153431810
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine
CID 153431950
N-phenyl-N-[2-(9-pyridin-2-ylcarbazol-2-yl)oxydibenzofuran-4-yl]pyridin-2-amine
CID 153432020
N-[3-[2-(1-methylpyrazol-3-yl)dibenzofuran-4-yl]oxydibenzofuran-1-yl]-N-phenylpyridin-2-amine
CID 153431680
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
2-[3-(4-imidazol-1-yldibenzofuran-2-yl)oxyphenoxy]pyridine
CID 139493757
N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine
CID 153431692
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
2-carbazol-9-yl-N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 156521402

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine?
The IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine (CID 139493678) is 2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine?
The canonical SMILES for 2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine is CN1C=CN(c2cc(N(c3ccccc3)c3cc(Oc4ccccn4)cc4c3oc3ccccc34)c3oc4ccccc4c3c2)C1.
What is the InChIKey of 2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine?
The InChIKey is GBPAZHWLOLCNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4O3/c1-41-19-20-42(25-41)27-21-31-29-13-5-7-15-35(29)45-38(31)33(22-27)43(26-11-3-2-4-12-26)34-24-28(44-37-17-9-10-18-40-37)23-32-30-14-6-8-16-36(30)46-39(32)34/h2-24H,25H2,1H3.
What are the key properties of 2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine?
2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine has a molecular weight of 600.68 g/mol, XLogP of 10.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine is sourced from PubChem (CID 139493678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).