N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine

C24H17N3S — CID 123785166

IUPACN-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc3ccsc3c2)c2cccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C24H17N3S/c1-2-7-20(8-3-1)27(21-12-11-18-13-15-28-23(18)16-21)24-10-4-9-22(26-24)19-6-5-14-25-17-19/h1-17H
InChIKeyJTSUPCHMYSPSNF-UHFFFAOYSA-N
MW379.49 g/mol
LogP6.83
Rot. Bonds4

About N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine

N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine (PubChem CID 123785166) has the molecular formula C24H17N3S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine
PubChem CID123785166
Molecular FormulaC24H17N3S
Molecular Weight379.49 g/mol
Exact Mass379.11
IUPAC NameN-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine
SMILESc1ccc(N(c2ccc3ccsc3c2)c2cccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C24H17N3S/c1-2-7-20(8-3-1)27(21-12-11-18-13-15-28-23(18)16-21)24-10-4-9-22(26-24)19-6-5-14-25-17-19/h1-17H
InChIKeyJTSUPCHMYSPSNF-UHFFFAOYSA-N
XLogP6.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.49
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzothiophen-6-yl)-N-pyridin-3-ylhydroxylamine
CID 54560399
N,N-diphenyl-6-pyridin-3-ylpyridin-3-amine
CID 15982920
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
2,6-dipyridin-3-ylpyridine
CID 13349632
N-phenyl-6-(1,3-thiazol-2-yl)-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]pyridin-2-amine
CID 140790959
2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine
CID 58090487
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-pyridin-3-ylphenyl)aniline
CID 134393257
N,N-bis(4-methylphenyl)-1-benzothiophen-6-amine
CID 169225195
N-(6-pyridin-3-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 169101788
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-7-amine
CID 166861466
N-[4-[5-[4-(N,4-dipyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-3-amine;N-(3-phenylphenyl)-N-[4-[5-[4-(3-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-3-amine;N-(3-phenylphenyl)-N-[4-[5-[4-(3-phenyl-N-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-4-amine;N-(4-pyridin-3-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine;N-(4-pyridin-3-ylphenyl)-N-[4-[5-[4-(4-pyridin-3-yl-N-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-4-amine
CID 158328940
N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-phenyl-4-pyridin-3-ylaniline
CID 121419360

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine?
The IUPAC name of N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine (CID 123785166) is N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine?
The canonical SMILES for N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine is c1ccc(N(c2ccc3ccsc3c2)c2cccc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine?
The InChIKey is JTSUPCHMYSPSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3S/c1-2-7-20(8-3-1)27(21-12-11-18-13-15-28-23(18)16-21)24-10-4-9-22(26-24)19-6-5-14-25-17-19/h1-17H.
What are the key properties of N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine?
N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine has a molecular weight of 379.49 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-6-yl)-N-phenyl-6-pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 123785166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).