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

C39H28N4O3 — CID 153431847

IUPAC3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine
SMILESCN1C=CN(c2cc(N(c3ccccc3)c3cc(Oc4ccccn4)c4c(c3)oc3ccccc34)c3c(c2)oc2ccccc23)C1
InChIInChI=1S/C39H28N4O3/c1-41-19-20-42(25-41)27-21-31(38-29-13-5-7-15-32(29)44-34(38)22-27)43(26-11-3-2-4-12-26)28-23-35-39(30-14-6-8-16-33(30)45-35)36(24-28)46-37-17-9-10-18-40-37/h2-24H,25H2,1H3
InChIKeyWLWNSVGHVVLDQN-UHFFFAOYSA-N
MW600.68 g/mol
LogP10.32
Rot. Bonds6

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

3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine (PubChem CID 153431847) has the molecular formula C39H28N4O3 and a molecular weight of 600.68 g/mol. Its IUPAC name is 3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine.

Molecular Properties

Compound Name3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine
PubChem CID153431847
Molecular FormulaC39H28N4O3
Molecular Weight600.68 g/mol
Exact Mass600.22
IUPAC Name3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine
SMILESCN1C=CN(c2cc(N(c3ccccc3)c3cc(Oc4ccccn4)c4c(c3)oc3ccccc34)c3c(c2)oc2ccccc23)C1
InChIInChI=1S/C39H28N4O3/c1-41-19-20-42(25-41)27-21-31(38-29-13-5-7-15-32(29)44-34(38)22-27)43(26-11-3-2-4-12-26)28-23-35-39(30-14-6-8-16-33(30)45-35)36(24-28)46-37-17-9-10-18-40-37/h2-24H,25H2,1H3
InChIKeyWLWNSVGHVVLDQN-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

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-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine
CID 153431877
N-[1-[1-(1-methylpyrazol-3-yl)dibenzofuran-3-yl]oxydibenzofuran-3-yl]-N-phenylpyridin-2-amine
CID 153431988
N-phenyl-N-[3-[1-(N-pyridin-2-ylanilino)dibenzofuran-3-yl]oxydibenzofuran-1-yl]pyridin-2-amine
CID 153431692
1-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(3-pyridin-2-yloxy-2H-dibenzofuran-2-id-1-yl)-2H-dibenzofuran-2-id-3-amine;platinum
CID 153431779
N-[3-[2-(1-methylpyrazol-3-yl)dibenzofuran-4-yl]oxydibenzofuran-1-yl]-N-phenylpyridin-2-amine
CID 153431680
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
N-dibenzofuran-1-yl-N-phenyl-18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-amine
CID 163615135
3-[1-(N-phenylanilino)dibenzofuran-3-yl]oxyphenol
CID 164760081
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
11-N,11-N,23-N,23-N-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(24),2(10),4,6,8,11,13,16,18,20,22-undecaene-11,23-diamine
CID 70938435

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine?
The IUPAC name of 3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine (CID 153431847) is 3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine.
What is the SMILES notation for 3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine?
The canonical SMILES for 3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine is CN1C=CN(c2cc(N(c3ccccc3)c3cc(Oc4ccccn4)c4c(c3)oc3ccccc34)c3c(c2)oc2ccccc23)C1.
What is the InChIKey of 3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine?
The InChIKey is WLWNSVGHVVLDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4O3/c1-41-19-20-42(25-41)27-21-31(38-29-13-5-7-15-32(29)44-34(38)22-27)43(26-11-3-2-4-12-26)28-23-35-39(30-14-6-8-16-33(30)45-35)36(24-28)46-37-17-9-10-18-40-37/h2-24H,25H2,1H3.
What are the key properties of 3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine?
3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-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 3-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(1-pyridin-2-yloxydibenzofuran-3-yl)dibenzofuran-1-amine is sourced from PubChem (CID 153431847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).