N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine

C39H26N4O3 — CID 153431988

IUPACN-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine
SMILESCn1ccc(-c2cc(Oc3cc(N(c4ccccc4)c4ccccn4)cc4oc5ccccc5c34)cc3oc4ccccc4c23)n1
InChIInChI=1S/C39H26N4O3/c1-42-20-18-31(41-42)30-23-27(24-36-38(30)28-13-5-7-15-32(28)46-36)44-34-21-26(22-35-39(34)29-14-6-8-16-33(29)45-35)43(25-11-3-2-4-12-25)37-17-9-10-19-40-37/h2-24H,1H3
InChIKeyIFUVGBRYFFBRRU-UHFFFAOYSA-N
MW598.66 g/mol
LogP10.54
Rot. Bonds6

About N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine

N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine (PubChem CID 153431988) has the molecular formula C39H26N4O3 and a molecular weight of 598.66 g/mol. Its IUPAC name is N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine
PubChem CID153431988
Molecular FormulaC39H26N4O3
Molecular Weight598.66 g/mol
Exact Mass598.20
IUPAC NameN-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine
SMILESCn1ccc(-c2cc(Oc3cc(N(c4ccccc4)c4ccccn4)cc4oc5ccccc5c34)cc3oc4ccccc4c23)n1
InChIInChI=1S/C39H26N4O3/c1-42-20-18-31(41-42)30-23-27(24-36-38(30)28-13-5-7-15-32(28)46-36)44-34-21-26(22-35-39(34)29-14-6-8-16-33(29)45-35)43(25-11-3-2-4-12-25)37-17-9-10-19-40-37/h2-24H,1H3
InChIKeyIFUVGBRYFFBRRU-UHFFFAOYSA-N
XLogP10.54
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.66
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-(1-methylpyrazol-3-yl)dibenzofuran-4-yl]oxydibenzofuran-1-yl]-N-phenylpyridin-2-amine
CID 153431680
N-[2-[4-(1-methylpyrazol-3-yl)dibenzofuran-2-yl]oxydibenzofuran-4-yl]-N-phenylpyridin-2-amine
CID 153431706
N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine
CID 153431692
N-[3-[3-(1-methylpyrazol-3-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)
CID 153431925
N-[4-[[1-(1-methylpyrazol-3-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-3H-dibenzofuran-3-id-2-yl]-N-phenylpyridin-2-amine;platinum(2+)
CID 153431860
3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine
CID 153431847
N-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)
CID 153431963
N-[3-[[3-(3-methyl-2H-imidazol-2-id-1-yl)-2H-dibenzofuran-2-id-1-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum
CID 153431938
N-[3-[[1-(3-methyl-2H-imidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;platinum
CID 153431727
N-[3-[[2-(1-methylimidazol-2-yl)-3H-dibenzofuran-3-id-4-yl]oxy]-2H-dibenzofuran-2-id-1-yl]-N-phenylpyridin-2-amine;platinum(2+)
CID 153431693
2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine
CID 153431877
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]dibenzofuran-1-yl]oxypyridine
CID 153431950

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine?
The IUPAC name of N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine (CID 153431988) is N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine.
What is the SMILES notation for N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine?
The canonical SMILES for N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine is Cn1ccc(-c2cc(Oc3cc(N(c4ccccc4)c4ccccn4)cc4oc5ccccc5c34)cc3oc4ccccc4c23)n1.
What is the InChIKey of N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine?
The InChIKey is IFUVGBRYFFBRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O3/c1-42-20-18-31(41-42)30-23-27(24-36-38(30)28-13-5-7-15-32(28)46-36)44-34-21-26(22-35-39(34)29-14-6-8-16-33(29)45-35)43(25-11-3-2-4-12-25)37-17-9-10-19-40-37/h2-24H,1H3.
What are the key properties of N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine?
N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine has a molecular weight of 598.66 g/mol, XLogP of 10.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 153431988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).