5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine

C37H34N4OS — CID 129061228

IUPAC5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine
SMILESCCc1ccnc(-c2cc(CC)cc(-c3cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OC)cc5)s4)ccn3)n2)c1
InChIInChI=1S/C37H34N4OS/c1-5-26-17-19-38-32(21-26)34-22-27(6-2)23-35(40-34)33-24-28(18-20-39-33)36-15-16-37(43-36)41(29-9-7-25(3)8-10-29)30-11-13-31(42-4)14-12-30/h7-24H,5-6H2,1-4H3
InChIKeyMHGFSFANBVZLPO-UHFFFAOYSA-N
MW582.77 g/mol
LogP9.85
Rot. Bonds9

About 5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine

5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine (PubChem CID 129061228) has the molecular formula C37H34N4OS and a molecular weight of 582.77 g/mol. Its IUPAC name is 5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine.

Molecular Properties

Compound Name5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine
PubChem CID129061228
Molecular FormulaC37H34N4OS
Molecular Weight582.77 g/mol
Exact Mass582.25
IUPAC Name5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine
SMILESCCc1ccnc(-c2cc(CC)cc(-c3cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OC)cc5)s4)ccn3)n2)c1
InChIInChI=1S/C37H34N4OS/c1-5-26-17-19-38-32(21-26)34-22-27(6-2)23-35(40-34)33-24-28(18-20-39-33)36-15-16-37(43-36)41(29-9-7-25(3)8-10-29)30-11-13-31(42-4)14-12-30/h7-24H,5-6H2,1-4H3
InChIKeyMHGFSFANBVZLPO-UHFFFAOYSA-N
XLogP9.85
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.77
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine
CID 146220860
[2-[4-[5-(N-phenylanilino)thiophen-2-yl]-2-pyridinyl]-6-pyrimidin-2-yl-4-pyridinyl] formate
CID 158356478
4-ethyl-2-(4-methylphenyl)pyridine
CID 165358443
5-[5-[5-(4-methyl-N-(4-methylphenyl)anilino)thiophen-2-yl]-3-pyridinyl]-N,N-bis(4-methylphenyl)thiophen-2-amine
CID 141326754
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
CID 51353922
[2-[4-formyloxy-6-[4-[5-(N-phenylanilino)thiophen-2-yl]-6-[(E)-2-phenylethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate
CID 129061219
2-[4-carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;4-ethyl-2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-6-(4-ethyl-2-pyridinyl)pyridine
CID 160626677
4-ethyl-N-(4-ethylphenyl)-N-[4-[[2-[4-[[4-[(4-ethylphenyl)-(4-methylphenyl)methyl]phenyl]methyl]-2-pyridinyl]-4-pyridinyl]methyl]phenyl]aniline
CID 58130115
2-[4-(bromomethyl)-2-pyridinyl]-4-methylpyridine;2-(4-ethyl-2-pyridinyl)-4-methylpyridine
CID 159642899
tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 158619139
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine?
The IUPAC name of 5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine (CID 129061228) is 5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine.
What is the SMILES notation for 5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine?
The canonical SMILES for 5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine is CCc1ccnc(-c2cc(CC)cc(-c3cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OC)cc5)s4)ccn3)n2)c1.
What is the InChIKey of 5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine?
The InChIKey is MHGFSFANBVZLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N4OS/c1-5-26-17-19-38-32(21-26)34-22-27(6-2)23-35(40-34)33-24-28(18-20-39-33)36-15-16-37(43-36)41(29-9-7-25(3)8-10-29)30-11-13-31(42-4)14-12-30/h7-24H,5-6H2,1-4H3.
What are the key properties of 5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine?
5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine has a molecular weight of 582.77 g/mol, XLogP of 9.85, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-ethyl-6-(4-ethyl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)thiophen-2-amine is sourced from PubChem (CID 129061228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).