7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine

C39H31NS — CID 171578743

IUPAC7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine
SMILESCc1cc(-c2sc3c(-c4cc(C(C)(C)C)c5ccccc5c4)nccc3c2C)cc2c1-c1cccc3cccc-2c13
InChIInChI=1S/C39H31NS/c1-22-18-27(20-32-30-14-8-11-24-12-9-15-31(34(22)32)35(24)30)37-23(2)28-16-17-40-36(38(28)41-37)26-19-25-10-6-7-13-29(25)33(21-26)39(3,4)5/h6-21H,1-5H3
InChIKeyWKUMHEGRHMKPKZ-UHFFFAOYSA-N
MW545.75 g/mol
LogP11.50
Rot. Bonds2

About 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine (PubChem CID 171578743) has the molecular formula C39H31NS and a molecular weight of 545.75 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine
PubChem CID171578743
Molecular FormulaC39H31NS
Molecular Weight545.75 g/mol
Exact Mass545.22
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine
SMILESCc1cc(-c2sc3c(-c4cc(C(C)(C)C)c5ccccc5c4)nccc3c2C)cc2c1-c1cccc3cccc-2c13
InChIInChI=1S/C39H31NS/c1-22-18-27(20-32-30-14-8-11-24-12-9-15-31(34(22)32)35(24)30)37-23(2)28-16-17-40-36(38(28)41-37)26-19-25-10-6-7-13-29(25)33(21-26)39(3,4)5/h6-21H,1-5H3
InChIKeyWKUMHEGRHMKPKZ-UHFFFAOYSA-N
XLogP11.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.75
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzofuran-7-yl)thieno[2,3-c]pyridine
CID 171717724
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(2-methyl-1-benzofuran-4-yl)thieno[2,3-c]pyridine
CID 171718617
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine
CID 165172664
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-[3-methyl-2-(2-methylpropyl)-1-benzothiophen-7-yl]thieno[2,3-c]pyridine
CID 171718311
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
[4-[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]phenyl]-triethylsilane
CID 163651391
7-(4-tert-butylnaphthalen-2-yl)-2-[3,4-dimethyl-5-[4-(2-methylpropyl)phenyl]thiophen-2-yl]-3-methylthieno[2,3-c]pyridine
CID 163863699
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-methyl-diphenylsilane
CID 170566810
[7-(4-tert-butylnaphthalen-2-yl)-3-methylthieno[2,3-c]pyridin-2-yl]-triphenylsilane
CID 170566811
7-(4-tert-butylnaphthalen-2-yl)-2-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)-3-methylthieno[2,3-c]pyridine
CID 172542957
1-(4-tert-butylnaphthalen-2-yl)-8-fluoro-7-(2,4,6-trimethylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 168736875
7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine;(5Z,7E)-7-ethyl-1,1,1-trifluoro-6-hydroxy-3-(2,2,2-trifluoroethyl)nona-5,7-dien-4-one;iridium
CID 171578741

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine (CID 171578743) is 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine is Cc1cc(-c2sc3c(-c4cc(C(C)(C)C)c5ccccc5c4)nccc3c2C)cc2c1-c1cccc3cccc-2c13.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine?
The InChIKey is WKUMHEGRHMKPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31NS/c1-22-18-27(20-32-30-14-8-11-24-12-9-15-31(34(22)32)35(24)30)37-23(2)28-16-17-40-36(38(28)41-37)26-19-25-10-6-7-13-29(25)33(21-26)39(3,4)5/h6-21H,1-5H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine has a molecular weight of 545.75 g/mol, XLogP of 11.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(10-methylfluoranthen-8-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 171578743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).