N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine

C33H26N4OS — CID 153432016

IUPACN-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine
SMILESCN1C=CN(c2cc(Oc3cccc(N(c4ccccc4)c4ccccn4)c3)cc3c2sc2ccccc23)C1
InChIInChI=1S/C33H26N4OS/c1-35-18-19-36(23-35)30-22-27(21-29-28-14-5-6-15-31(28)39-33(29)30)38-26-13-9-12-25(20-26)37(24-10-3-2-4-11-24)32-16-7-8-17-34-32/h2-22H,23H2,1H3
InChIKeyVNQJYJKGVKJIQY-UHFFFAOYSA-N
MW526.67 g/mol
LogP8.89
Rot. Bonds6

About N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine

N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine (PubChem CID 153432016) has the molecular formula C33H26N4OS and a molecular weight of 526.67 g/mol. Its IUPAC name is N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine
PubChem CID153432016
Molecular FormulaC33H26N4OS
Molecular Weight526.67 g/mol
Exact Mass526.18
IUPAC NameN-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine
SMILESCN1C=CN(c2cc(Oc3cccc(N(c4ccccc4)c4ccccn4)c3)cc3c2sc2ccccc23)C1
InChIInChI=1S/C33H26N4OS/c1-35-18-19-36(23-35)30-22-27(21-29-28-14-5-6-15-31(28)39-33(29)30)38-26-13-9-12-25(20-26)37(24-10-3-2-4-11-24)32-16-7-8-17-34-32/h2-22H,23H2,1H3
InChIKeyVNQJYJKGVKJIQY-UHFFFAOYSA-N
XLogP8.89
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.67
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(N-[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]anilino)phenoxy]phenol
CID 140679657
N-[3-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]phenyl]-N-phenylpyridin-2-amine
CID 155784480
2-[[2-[[2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine;2-(3-methyl-2H-imidazol-2-id-1-yl)-N-phenyl-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-4-amine;N-phenyl-N-[4-[[2-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-4-yl]oxy]-3H-dibenzothiophen-3-id-2-yl]pyridin-2-amine;N-phenyl-2-pyridin-2-yloxy-N-(2-pyridin-2-yloxy-3H-dibenzothiophen-3-id-4-yl)-3H-dibenzothiophen-3-id-4-amine;platinum;tris(platinum(2+));2-[[4-[(2-pyridin-2-yloxy-3H-dibenzothiophen-3-id-4-yl)oxy]-3H-dibenzothiophen-3-id-2-yl]oxy]pyridine
CID 157447036
2-[3-[[3-(N-pyridin-2-ylanilino)phenyl]methyl]-2H-imidazol-1-yl]phenol
CID 140679540
2-(3-methyl-2H-imidazol-1-yl)-N-phenyl-N-(2-pyridin-2-yloxydibenzofuran-4-yl)dibenzofuran-4-amine
CID 139493678
1-N,6-N-di(dibenzothiophen-4-yl)-6-N-phenyl-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 118952332
7-N-dibenzothiophen-2-yl-7-N-(3-phenoxyphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N,7-N-bis(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 160665124
N-[2-[4-(1-methylpyrazol-3-yl)dibenzofuran-2-yl]oxydibenzofuran-4-yl]-N-phenylpyridin-2-amine
CID 153431706
3-[6,10-bis[3-(N-phenylanilino)phenoxy]triphenylen-2-yl]oxy-N,N-diphenylaniline
CID 163456030
2-[1-[4-(3-methyl-2H-imidazol-1-yl)dibenzofuran-2-yl]oxydibenzofuran-3-yl]oxypyridine
CID 153431877
N-[3-[3-[3-(3-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]phenyl]-N-phenylpyridin-2-amine
CID 168784510
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-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine?
The IUPAC name of N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine (CID 153432016) is N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine.
What is the SMILES notation for N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine?
The canonical SMILES for N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine is CN1C=CN(c2cc(Oc3cccc(N(c4ccccc4)c4ccccn4)c3)cc3c2sc2ccccc23)C1.
What is the InChIKey of N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine?
The InChIKey is VNQJYJKGVKJIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4OS/c1-35-18-19-36(23-35)30-22-27(21-29-28-14-5-6-15-31(28)39-33(29)30)38-26-13-9-12-25(20-26)37(24-10-3-2-4-11-24)32-16-7-8-17-34-32/h2-22H,23H2,1H3.
What are the key properties of N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine?
N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine has a molecular weight of 526.67 g/mol, XLogP of 8.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methyl-2H-imidazol-1-yl)dibenzothiophen-2-yl]oxyphenyl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 153432016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).