5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine

C34H30N2OS — CID 176865290

IUPAC5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine
SMILESCc1sc2c(-c3ccc4ccccc4c3)nc(Oc3cc(C(C)(C)C)cc(-c4ccccc4)n3)cc2c1C
InChIInChI=1S/C34H30N2OS/c1-21-22(2)38-33-28(21)20-31(36-32(33)26-16-15-23-11-9-10-14-25(23)17-26)37-30-19-27(34(3,4)5)18-29(35-30)24-12-7-6-8-13-24/h6-20H,1-5H3
InChIKeyBYWLDLUVQVWATI-UHFFFAOYSA-N
MW514.69 g/mol
LogP9.89
Rot. Bonds4

About 5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine

5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine (PubChem CID 176865290) has the molecular formula C34H30N2OS and a molecular weight of 514.69 g/mol. Its IUPAC name is 5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine
PubChem CID176865290
Molecular FormulaC34H30N2OS
Molecular Weight514.69 g/mol
Exact Mass514.21
IUPAC Name5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine
SMILESCc1sc2c(-c3ccc4ccccc4c3)nc(Oc3cc(C(C)(C)C)cc(-c4ccccc4)n3)cc2c1C
InChIInChI=1S/C34H30N2OS/c1-21-22(2)38-33-28(21)20-31(36-32(33)26-16-15-23-11-9-10-14-25(23)17-26)37-30-19-27(34(3,4)5)18-29(35-30)24-12-7-6-8-13-24/h6-20H,1-5H3
InChIKeyBYWLDLUVQVWATI-UHFFFAOYSA-N
XLogP9.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.69
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine with MolForge

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Related Compounds

14-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-9-methyl-2,15-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene
CID 177119945
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
2,5-dimethyl-4-naphthalen-2-yl-1,3-thiazole
CID 21058775
4-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121315664
4,7-dinaphthalen-2-yl-2,9-diphenyl-1,10-phenanthroline
CID 70909440
9-[6-tert-butyl-3-[[4-(2,6-ditert-butylphenyl)-6-phenyl-2-pyridinyl]oxy]isoquinolin-1-yl]-14-phenyl-11,15-dithia-13-azatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,12(16),13-heptaene
CID 165168178
2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine
CID 88558011
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
2-tert-butyl-4-naphthalen-2-yl-1,3-thiazole-5-carboxylic acid
CID 69475453
ethane;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;propane
CID 145073394
4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine
CID 132607748
2-methyl-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 130266122

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine?
The IUPAC name of 5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine (CID 176865290) is 5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine.
What is the SMILES notation for 5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine?
The canonical SMILES for 5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine is Cc1sc2c(-c3ccc4ccccc4c3)nc(Oc3cc(C(C)(C)C)cc(-c4ccccc4)n3)cc2c1C.
What is the InChIKey of 5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine?
The InChIKey is BYWLDLUVQVWATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2OS/c1-21-22(2)38-33-28(21)20-31(36-32(33)26-16-15-23-11-9-10-14-25(23)17-26)37-30-19-27(34(3,4)5)18-29(35-30)24-12-7-6-8-13-24/h6-20H,1-5H3.
What are the key properties of 5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine?
5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine has a molecular weight of 514.69 g/mol, XLogP of 9.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-2,3-dimethyl-7-naphthalen-2-ylthieno[2,3-c]pyridine is sourced from PubChem (CID 176865290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).